SCHEMBL1497897

SCHEMBL1497897

NC(=O)c1ccnc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KDR P35968 7/20 0.40
PARP1 P09874 2/20 0.40
PDPK1 O15530 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTK2 Q05397 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
SPR P35270 1/20 0.35
ADORA1 P30542 1/20 0.35

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 SCHEMBL6196266 0.98 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1150804 0.85 KDR (0.42) MEN1KMT2AKDRPARP1PDPK1
SCHEMBL11277616 0.84 KDR (0.44) MEN1KMT2AKDM4EKDRPARP1
SCHEMBL25201385 0.84 KDR (0.41) MEN1KMT2AKDRPARP1PDPK1
SCHEMBL954193 0.82 AXL (0.38) MEN1KMT2AKDRPARP1PDPK1
SCHEMBL10650329 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EKDR
SCHEMBL25191211 0.78 KDR (0.38) ALDH1A1KDRPARP1PDPK1AXL
SCHEMBL17440429 0.78 KDR (0.45) MEN1KMT2AALDH1A1KDM4EKDR
SCHEMBL24322141 0.75 AXL (0.38) MEN1KMT2AALDH1A1KDRPARP1
SCHEMBL3977601 0.75 AXL (0.42) MEN1KMT2AALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP claimed
US-7897614-B2 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
EP-1829543-B1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORP (JP) 2009-01-21 EP claimed
EP-1829543-A1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI PHARMA CORPORATION (JP) 2007-09-05 EP claimed
EP-1419772-B1 PREVENTIVE AGENT/REMEDIAL AGENT FOR CONSTIPATION PREDOMINANT IBS MITSUBISHI PHARMA CORP (JP) 2007-07-25 EP claimed
EP-1256581-B1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION MITSUBISHI PHARMA CORP (JP) 2007-03-28 EP claimed
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-04 US claimed
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease EDUSA PHARMACEUTICALS, INC. 2006-12-14 US claimed
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease YAMAZAKI SATOSHI 2005-12-22 US claimed
US-6967207-B2 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2005-11-22 US claimed
US-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 US claimed
EP-1419772-A1 PREVENTIVE AGENT/REMEDIAL AGENT FOR CONSTIPATION PREDOMINANT IBS Mitsubishi Pharma Corporation (JP) 2004-05-19 EP claimed
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2003-07-10 US claimed
EP-1256581-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION Mitsubishi Pharma Corporation (JP) 2002-11-13 EP claimed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
US-7897614-B2 Preventive agent/remedial agent for constipation predominant IBS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-01 US disclosed
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation MITSUBISHI PHARMA CORPORATION (JP) 2003-07-10 US disclosed
WO-2003018012-A1 PREVENTIVE AGENT/REMEDIAL AGENT FOR CONSTIPATION PREDOMINANT IBS MITSUBISHI PHARMA CORPORATION (JP) 2003-03-06 WO disclosed
EP-1256581-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR GASTRIC OR ESOPHAGEAL REGURGITATION Mitsubishi Pharma Corporation (JP) 2002-11-13 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 (5 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-20040248927-A1 Preventive agent/remedial agent for constipation predominant ibs BRS3, SLC10A2, FABP2 MEN1 4250/4885KMT2A 2702/4885ALDH1A1 1982/4885
US-20070004770-A1 Preventive agent/remedial agent for constipation predominant IBS SLC10A2, FABP2, SI MEN1 4336/4885KMT2A 2122/4885ALDH1A1 804/4885
US-20050282852-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR MEN1 3574/4885KMT2A 3483/4885ALDH1A1 112/4885
US-20060281781-A1 Preventive and therapeutic medicament for gastroesophageal reflux disease HRH2, SLC10A2, GRPR MEN1 3574/4885KMT2A 3483/4885ALDH1A1 112/4885
US-20030130304-A1 Preventive or therapeutic agents for gastric or esophageal regurgitation HRH2, SLC10A2, ABCB11 MEN1 3563/4885KMT2A 4221/4885ALDH1A1 401/4885

“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.