SCHEMBL6340710

SCHEMBL6340710

Clc1ccc(C=C(Br)Br)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AMY1A P0DUB6 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3753780 0.81 TTR (0.63) GABRA1GABRG2GABRB3ALDH1A1KDM4E
SCHEMBL8262436 0.78 MAPT (0.59) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL29028260 0.75 GABRA1 (0.61) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL8272588 0.75 GABRA1 (0.61) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7822858 0.75 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL3465947 0.75 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7822855 0.75 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL3465948 0.75 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL26078401 0.75 TRPV4 (0.42) MAPTAMY1AKDM4EL3MBTL1NPC1
SCHEMBL3604055 0.75 TRIM24 (0.43) TDP1MAPTALDH1A1GAAKDM4E

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 GABRA1 140/4885GABRG2 247/4885GABRB3 158/4885

“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.