Sugi Predict

Sugi Predict / Compounds / SCHEMBL6420193

SCHEMBL6420193

SCHEMBL6420193

Cc1ccc(C(=O)c2ncc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ BRAF P15056 3/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ NISCH Q9Y2I1 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ COMT P21964 1/20 0.40

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
SCHEMBL10834286 0.82 NPC1 (0.70) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL3473764 0.82 RAB9A (0.70) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL653633 0.82 NPC1 (0.70) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL653441 0.81 RAB9A (0.69) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL2303836 0.81 NPC1 (0.69) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL1117935 0.81 NPC1 (0.69) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL6747205 0.81 NPC1 (0.69) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL29836846 0.81 NPC1 (0.68) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL28838982 0.79 RAB9A (0.66) NPC1RAB9ABRAFHDAC1ALDH1A1
SCHEMBL925484 0.79 NPC1 (0.66) NPC1RAB9ABRAFHDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US disclosed
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2018-10-04 — — US disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 — — US disclosed
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP disclosed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — WO disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 — — EP disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 — — US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 — — EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 — — US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 — — US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 — — US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 — — EP 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 NPC1 1550/4885RAB9A 2398/4885BRAF 2095/4885
US-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 NPC1 115/4885RAB9A 1207/4885BRAF 818/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 NPC1 108/4885RAB9A 1362/4885BRAF 852/4885
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A NPC1 710/4885RAB9A 3818/4885BRAF 3761/4885
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A NPC1 710/4885RAB9A 3818/4885BRAF 3761/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 NPC1 1814/4885RAB9A 2993/4885BRAF 3324/4885
US-10323021-B2 Triazoles as NR2B receptor inhibitors GRIN2B, GRIN1, GRIN3A NPC1 710/4885RAB9A 3818/4885BRAF 3761/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 NPC1 1651/4885RAB9A 2817/4885BRAF 3533/4885

“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.