SCHEMBL9944804

SCHEMBL9944804

Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(NCC(C)(C)O)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.44
KCNMA1 Q12791 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL9944773 0.87 MAPT (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9897866 0.86 MEN1 (0.48) MAPTKMT2ASMN1; SMN2LMNANPC1
SCHEMBL9944971 0.83 NPC1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9945020 0.82 MAPT (0.55) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944805 0.81 ALDH1A1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9945013 0.81 HCAR3 (0.41) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL9945017 0.80 KMT2A (0.51) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944803 0.78 CYP2C19 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9945014 0.76 ALDH1A1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22725406 0.74 KAT2B (0.58) MAPTALDH1A1SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES MAPT 4336/4885KMT2A 3376/4885ALDH1A1 126/4885

“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.