SCHEMBL7034302

SCHEMBL7034302

CCC(Nc1ccnc(Cl)c1[N+](=O)[O-])C1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38
BCL6 P41182 7/20 0.37
IDO1 P14902 5/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGER4 P35408 1/20 0.33
CUL4A Q13619 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
SOS1 Q07889 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL7885090 0.77 LMNA (0.41) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL7029091 0.74 IDH1 (0.32) IDH1IDH2ALDH1A1
SCHEMBL6081804 0.74 CRHR1 (0.41) SOS1
SCHEMBL21159495 0.73 CHRM2 (0.39) IDO1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL4737704 0.73 PTGER4 (0.60) PTGER4
SCHEMBL12138409 0.72 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL28908267 0.72 LMNA (0.38) IDH1IDH2LMNAALDH1A1SMN1; SMN2
SCHEMBL6223842 0.71 ADORA2A (0.45) LMNAALDH1A1MAPTADORA2A
SCHEMBL6223839 0.71 ADORA2A (0.45) LMNAALDH1A1MAPTADORA2A
SCHEMBL28908277 0.71 KMT2A (0.53) LMNAALDH1A1SMN1; SMN2MAPT

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 IDH1 3332/4885IDH2 2551/4885BCL6 3867/4885

“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.