SCHEMBL5117033

SCHEMBL5117033

NC(=O)[C@@H](N)Cc1c[nH]c2ccc(N)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.60
KMT2A Q03164 4/20 0.59
HTR2C P28335 4/20 0.59
HTR2A P28223 4/20 0.59
TSHR P16473 3/20 0.59
BLM P54132 3/20 0.59
HTR1A P08908 3/20 0.59
HTR7 P34969 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
PMP22 Q01453 2/20 0.59
NFKB1 P19838 2/20 0.59
HTR2B P41595 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL29965180 0.89 KMT2A (0.75) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL1229721 0.89 KMT2A (0.75) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL1229723 0.89 KMT2A (0.75) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL5066582 0.86 HTR2C (0.80) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL5110752 0.86 HTR2C (0.80) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL25283554 0.84 SCN9A (0.59) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL7331236 0.84 HTR2A (0.66) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL10956814 0.84 SCN9A (0.59) SCN9AKMT2AHTR2CHTR2ATSHR
Hydrochloric Acid SCHEMBL5062770 0.84 HTR2C (0.78) SCN9AKMT2AHTR2CHTR2ATSHR
SCHEMBL30310731 0.84 SCN9A (0.59) SCN9AKMT2AHTR2CHTR2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 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 (3 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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM SCN9A 1364/4885KMT2A 3370/4885HTR2C 2645/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 SCN9A 2530/4885KMT2A 4303/4885HTR2C 1797/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM SCN9A 1364/4885KMT2A 3370/4885HTR2C 2645/4885

“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.