SCHEMBL211584

SCHEMBL211584

Cc1ccnc(NC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
FDPS P14324 1/20 0.49
KDM4E B2RXH2 7/20 0.48
PKM P14618 3/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 7/20 0.46
NOS2 P35228 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL29293764 0.80 ALDH1A1 (0.50) NPC1RAB9AFDPSKDM4EPKM
SCHEMBL27551673 0.78 ALDH1A1 (0.41) NPC1RAB9AALDH1A1LMNA
SCHEMBL2912518 0.76 KDR (0.57) NPC1RAB9AFDPSKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28255643 0.76 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNA
SCHEMBL28138076 0.76 FGFR4 (0.41) NPC1RAB9AMAPTALDH1A1NOS2
SCHEMBL22664951 0.76 ALDH1A1 (0.41) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL28510950 0.76 MAPK10 (0.38) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL26615246 0.76 KCNH2 (0.41) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL25692332 0.76 NOS3 (0.47) NPC1RAB9AKDM4EPKMNOS2
SCHEMBL25982913 0.76 SMN1; SMN2 (0.36) NPC1RAB9AFDPSKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117310023-A Analysis and detection method for related substances in 4-methylpyridine 合肥启旸生物科技有限公司 2023-12-29 CN disclosed
CN-117310023-A Analysis and detection method for related substances in 4-methylpyridine 合肥启旸生物科技有限公司 2023-12-29 CN disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8518977-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-5571912-A Method for the preparation of 5,11-dihydro-6h-dipyrido [3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-11-05 US disclosed
US-5227359-A Pyrazoloazole dyes FUJI PHOTO FILM CO., LTD. (JP) 1993-07-13 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 (7 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 NPC1 287/4885RAB9A 1722/4885FDPS 61/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885FDPS 966/4885

“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.