SCHEMBL13155339

SCHEMBL13155339

CC(C)(C)n1cc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
PLAU P00749 3/20 0.39
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.32
KDM5B Q9UGL1 2/20 0.31
F2 P00734 1/20 0.31
KLKB1 P03952 1/20 0.31
KDM1A O60341 1/20 0.31
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2765586 0.80 ELANE (0.36) ELANEPLAU
SCHEMBL15321957 0.77 PLAU (0.41) ELANEPLAUF2KLKB1
SCHEMBL11258133 0.74 ELANE (0.36) ELANEPLAU
SCHEMBL11258139 0.74 ELANE (0.36) ELANEPLAU
SCHEMBL15567718 0.74 KDM5B (0.34) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL21166143 0.73 NPC1 (0.33) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL25460776 0.73 ELANE (0.41) ELANEPLAUNPC1HTTRAB9A
SCHEMBL2765038 0.73 PLAU (0.30) ELANEPLAU
SCHEMBL10982353 0.73 KDM1A (0.37) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL3224996 0.71 NPC1 (0.33) NPC1MAPTHTTRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
US-20230142565-A1 MICROBIOCIDAL QUINOLINE DIHYDRO-(THIAZINE)OXAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230142565-A1 MICROBIOCIDAL QUINOLINE DIHYDRO-(THIAZINE)OXAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2021-08-03 US disclosed
WO-2020135454-A1 CLASS OF STEROID COMPOUNDS AND USE THEREOF 张家口华健致远生物科技有限公司 2020-07-02 WO disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-03-01 US disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ELANE 1756/4885PLAU 4055/4885NPC1 1817/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 ELANE 4842/4885PLAU 4874/4885NPC1 2545/4885
US-20230142565-A1 MICROBIOCIDAL QUINOLINE DIHYDRO-(THIAZINE)OXAZINE DERIVATIVES IFNG, TLR1, NOX1 ELANE 351/4885PLAU 4662/4885NPC1 1422/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ELANE 4166/4885PLAU 4253/4885NPC1 3861/4885
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 ELANE 2609/4885PLAU 4616/4885NPC1 1693/4885
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF THEM6, NOTUM, CYP4F11 ELANE 3968/4885PLAU 4822/4885NPC1 3654/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ELANE 1756/4885PLAU 4055/4885NPC1 1817/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ELANE 4166/4885PLAU 4253/4885NPC1 3861/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 ELANE 2496/4885PLAU 4608/4885NPC1 1505/4885
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof THEM6, NOTUM, CYP4F11 ELANE 3968/4885PLAU 4822/4885NPC1 3654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.