SCHEMBL5773028

SCHEMBL5773028

NC(=O)[C@@H](N)Cc1c[nH]c2ccc(Nc3c(O)c(=O)c3=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.53
NFKB1 P19838 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
PMP22 Q01453 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX15 P16050 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
MTOR P42345 1/20 0.53

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
SCHEMBL5117590 0.80 SCN9A (0.56) BLMNFKB1KMT2ANPSR1LMNA
SCHEMBL5110752 0.80 HTR2C (0.80) BLMNFKB1KMT2ANPSR1LMNA
SCHEMBL5066582 0.80 HTR2C (0.80) BLMNFKB1KMT2ANPSR1LMNA
Water SCHEMBL27717537 0.79 HTR2C (0.78) BLMNFKB1KMT2ANPSR1LMNA
Water SCHEMBL3049600 0.79 HTR2C (0.78) BLMNFKB1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL5062770 0.79 HTR2C (0.78) BLMNFKB1KMT2ANPSR1LMNA
SCHEMBL5109699 0.76 SPR (0.55) BLMNFKB1KMT2ANPSR1LMNA
Oxitriptan SCHEMBL10703675 0.76 NPSR1 (0.90) BLMNFKB1KMT2ANPSR1LMNA
SCHEMBL5117033 0.75 SCN9A (0.60) BLMNFKB1KMT2ANPSR1LMNA
SCHEMBL5109537 0.74 SCN9A (0.49) BLMNFKB1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 BLM 1873/4885NFKB1 2433/4885KMT2A 3370/4885

“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.