SCHEMBL3886801

SCHEMBL3886801

CN1CCC(C(N)=S)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
MGLL Q99685 2/20 0.34
PHGDH O43175 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
QDPR P09417 1/20 0.31

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
Hydrochloric Acid SCHEMBL8692037 0.84 NCF1 (0.37) NCF1SMN1; SMN2KDM4EMAPTAPOBEC3G
SCHEMBL15325087 0.77 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL13223293 0.75 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL17779823 0.75 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL19622413 0.75 NCF1 (0.41) NCF1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL803894 0.75 NOS2 (0.57) NCF1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL274448 0.75 SMN1; SMN2 (0.59) NCF1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL11039671 0.75 SMN1; SMN2 (0.59) NCF1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL3123800 0.75 ATM (0.34) SMN1; SMN2KDM4EMAPTAPOBEC3G
SCHEMBL467970 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
EP-3122746-B1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-04-25 EP disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
CN-103403002-B Thiazolylphenyl-benzderivativesido derivativesido as inhibitors of kinases 内尔维阿诺医学科学有限公司 2016-06-22 CN disclosed
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
EP-2678336-B1 THIAZOLYLPHENYL-BENZENESULFONAMIDO DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-04-20 EP disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 NCF1 78/4885MGLL 2266/4885PHGDH 1936/4885
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R NCF1 3415/4885MGLL 583/4885PHGDH 942/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 NCF1 2007/4885MGLL 4720/4885PHGDH 1299/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 NCF1 3227/4885MGLL 3982/4885PHGDH 2767/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R NCF1 3415/4885MGLL 583/4885PHGDH 942/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 NCF1 401/4885MGLL 4734/4885PHGDH 1563/4885
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES CYP1A1, PNPO, PADI1 NCF1 1165/4885MGLL 4753/4885PHGDH 2069/4885
US-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 NCF1 597/4885MGLL 2841/4885PHGDH 3650/4885

“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.