SCHEMBL2180840

SCHEMBL2180840

COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 2/20 0.67
HDAC8 Q9BY41 1/20 0.65
MAPT P10636 4/20 0.64
TP53 P04637 2/20 0.64
KCNMA1 Q12791 1/20 0.64
HPGD P15428 2/20 0.64
RXFP1 Q9HBX9 1/20 0.63
NPSR1 Q6W5P4 2/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.61
AHR P35869 1/20 0.61
NR1H4 Q96RI1 2/20 0.60
PPARG P37231 1/20 0.60

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
SCHEMBL21588761 0.90 MEN1 (0.60) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL5757242 0.85 ALDH1A1 (0.72) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24438159 0.85 MEN1 (1.00) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL30692663 0.85 MEN1 (1.00) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL11466437 0.85 MEN1 (0.81) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL30692656 0.85 MEN1 (0.81) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1352942 0.84 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL11515491 0.83 ALDH1A1 (0.82) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24438368 0.82 ALDH1A1 (0.80) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24438712 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949980-B2 Drugs to prevent HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 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 (2 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-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MEN1 1211/4885KMT2A 400/4885ALDH1A1 458/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MEN1 1211/4885KMT2A 400/4885ALDH1A1 458/4885

“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.