SCHEMBL1156658

SCHEMBL1156658

CN(Cc1c[nH]c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
AOC3 Q16853 1/20 0.43
PIN1 Q13526 1/20 0.41
CDK4 P11802 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL1157313 0.83 HTR2C (0.44) KMT2AMEN1ALDH1A1AOC3RIPK1
SCHEMBL17091244 0.82 ALDH1A1 (0.44) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3417952 0.77 KMT2A (0.44) NPC1RAB9AKMT2AMEN1CDK4
SCHEMBL5008198 0.76 TACR1 (0.38) NPC1RAB9ACA12CA9KMT2A
SCHEMBL180384 0.76 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
SCHEMBL11018248 0.76 ALDH1A1 (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1157418 0.75 ATM (0.41) KMT2AMEN1ALDH1A1HPGDRIPK1
SCHEMBL1157316 0.74 HPGD (0.41) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.74 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL1156742 0.73 MEN1 (0.40) RAB9AKMT2AMEN1ALDH1A1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 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 (4 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NPC1 594/4885RAB9A 841/4885CA12 3711/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NPC1 596/4885RAB9A 1008/4885CA12 3143/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 NPC1 2260/4885RAB9A 2516/4885CA12 4727/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NPC1 604/4885RAB9A 847/4885CA12 3697/4885

“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.