SCHEMBL6345878

SCHEMBL6345878

Cc1nc2c(-c3ccc(Cl)cc3Cl)nccc2c(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
LMNA P02545 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL5210888 0.77 CRHR1 (0.48)
SCHEMBL5206955 0.75 CRHR1 (0.62)
SCHEMBL4459937 0.70 FABP3 (0.52) DHODHFABP3FABP4DPP4CYP3A4
SCHEMBL9907383 0.69 KDM4C (0.49) DHODHKDM4C
SCHEMBL8874315 0.69 DHODH (0.56) DHODHFABP3FABP4LMNADPP4
SCHEMBL6352059 0.67 TSHR (0.51) DHODHKDM4CCNR1CNR2
SCHEMBL20659681 0.66 LMNA (0.54) KDM4CLMNADPP4DPP8
SCHEMBL9907459 0.65 KDM4C (0.45) KDM4C
SCHEMBL15491613 0.65 FABP3 (0.62) DHODHFABP3FABP4CYP2C9
SCHEMBL11373441 0.64 SMURF2 (0.46) LMNADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974808-B2 CRF receptor antagonists and methods relating thereto BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-13 US disclosed
US-20020049207-A1 CRF receptor antagonists and methods relating thereto BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-25 US disclosed
US-6352990-B1 A METHOD OF TREATING ANXIETY AND DEPRESSION IN A WARM-BLOODED ANIMAL AND TREATMENT OF STROKES BRISTOL-MYERS SQUIBB COMPANY 2002-03-05 US disclosed
EP-0970082-A2 BIAZACYCLIC CRF ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-01-12 EP disclosed
WO-1998035967-A2 BIAZACYCLIC CRF ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-20 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-20020049207-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 DHODH 1541/4885FABP3 411/4885FABP4 2934/4885

“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.