SCHEMBL4027632

SCHEMBL4027632

CC(c1ccccc1Cl)N(C(=O)O)c1conc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.39
KMT2A Q03164 2/20 0.37
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTGS2 P35354 1/20 0.34
AURKA O14965 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4027629 1.00 LPAR1 (0.39) LPAR1KMT2AMAPK1LMNAPKM
SCHEMBL4022280 0.87 LPAR1 (0.41) LPAR1KMT2ALMNANPC1RAB9A
SCHEMBL4022910 0.86 LPAR1 (0.41) LPAR1LMNAPTGS2MAPT
SCHEMBL4022155 0.84 LPAR1 (0.47) LPAR1KMT2A
SCHEMBL4027626 0.83 LPAR1 (0.44) LPAR1KMT2ACES2CES1
SCHEMBL4024811 0.82 LPAR1 (0.47) LPAR1KMT2ATP53MAPT
SCHEMBL4033782 0.82 MAPK1 (0.42) KMT2AMAPK1LMNAPTGS2MAPT
SCHEMBL15437794 0.78 LPAR1 (0.41) LPAR1KMT2AMAPK1LMNAPKM
SCHEMBL4034300 0.78 LPAR1 (0.41) LPAR1KMT2AMAPK1LMNAPKM
SCHEMBL4023164 0.73 LPAR1 (0.39) LPAR1LMNARAB9ASMN1; SMN2NPSR1

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-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885KMT2A 1367/4885MAPK1 1293/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885KMT2A 1367/4885MAPK1 1293/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 LPAR1 1/4885KMT2A 1367/4885MAPK1 1293/4885

“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.