SCHEMBL10119792

SCHEMBL10119792

Cc1c[nH]cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL891294 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ALOX15TSHRTDP1
SCHEMBL149977 0.71
SCHEMBL21719440 0.70 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2ALOX15TP53HIF1A
SCHEMBL21719671 0.70 KDM4E (0.31) ALDH1A1SMN1; SMN2ALOX15CYP1A2KDM4E
SCHEMBL21719662 0.70 KDM4E (0.31) ALDH1A1SMN1; SMN2ALOX15CYP1A2KDM4E
SCHEMBL13712515 0.67 HSPA5 (0.34) GABRA1GABRB2
SCHEMBL21719577 0.67 LMNA (0.42) ALDH1A1ALOX15TP53CYP3A4CA2
SCHEMBL1106134 0.67
SCHEMBL22793067 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ALOX15TDP1CYP1A2
SCHEMBL22722529 0.65

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 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-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 US 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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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 (8 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 NOTUM 3185/4885ALDH1A1 4470/4885SMN1; SMN2 4159/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B NOTUM 3630/4885ALDH1A1 612/4885SMN1; SMN2 3857/4885
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 NOTUM 31/4885ALDH1A1 3279/4885SMN1; SMN2 4806/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK NOTUM 1553/4885ALDH1A1 894/4885SMN1; SMN2 3624/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK NOTUM 1553/4885ALDH1A1 894/4885SMN1; SMN2 3624/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 NOTUM 3553/4885ALDH1A1 4530/4885SMN1; SMN2 4168/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B NOTUM 3630/4885ALDH1A1 612/4885SMN1; SMN2 3857/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B NOTUM 3630/4885ALDH1A1 612/4885SMN1; SMN2 3857/4885

“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.