SCHEMBL13236237

SCHEMBL13236237

COC(=O)Cc1cnc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
MAPT P10636 4/20 0.43
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13236234 0.89 PTGS2 (0.43) PTGS2MAPTALDH1A1KMT2AMEN1
SCHEMBL2950073 0.86 CYP1A2 (0.44) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL691743 0.85 KMT2A (0.41) PTGS2MAPTALDH1A1KMT2AMEN1
SCHEMBL13236241 0.81 ALDH1A1 (0.39) PTGS2MAPTALDH1A1KMT2ACYP2C19
SCHEMBL13264579 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL12569062 0.81 NPSR1 (0.41) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL27674637 0.79 MAPT (0.40) MAPTKMT2AHTTCYP2C19CYP1A2
SCHEMBL12568714 0.78 TBXA2R (0.39) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL13051455 0.78 L3MBTL1 (0.46) PTGS2MAPTALDH1A1KMT2AMEN1
SCHEMBL5959150 0.78 MAOB (0.40) MAPTKMT2AMEN1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874023-A Alkylthio pyrimidines as CRTH2 antagonists ACTIMIS PHARMACEUTICALS INC 2010-10-27 CN disclosed
US-7750014-B2 Imidazo[1,2-C]pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
CN-100584844-C Imidazole [1,2-C] pyrimidyl acetic acid derivs ACTIMIS PHARMACEUTICALS INC 2010-01-27 CN disclosed
EP-1718649-B1 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS INC (US) 2009-06-10 EP disclosed
US-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
CN-1938310-A Imidazo 1,2-c pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS INC (US) 2007-03-28 CN 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-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives HRH2, CCR2, HRH1 PTGS2 90/4885MAPT 2950/4885RECQL 4639/4885

“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.