SCHEMBL7038577

SCHEMBL7038577

Cc1cc(NCc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MDM2 Q00987 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL8123045 0.77 MDM2 (0.51) MAPTMEN1KMT2AMDM2KDM4E
SCHEMBL13407309 0.75 MAPT (0.59) MAPTMEN1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL11240759 0.75 MAPT (0.54) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL15356718 0.73 MEN1 (0.59) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL2571520 0.73 MAPT (0.52) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL5761966 0.73 MAPT (0.52) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL30911091 0.72 MAPT (0.45) MAPTKMT2AMDM2KDM4EALDH1A1
SCHEMBL15743967 0.71 MAPT (0.56) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL23295577 0.70 HTR6 (0.62) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL2059682 0.70 MAPT (1.00) MAPTMEN1KMT2ACRHBPCRHR2

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
US-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO 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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 MAPT 1128/4885MEN1 2202/4885KMT2A 4568/4885

“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.