SCHEMBL14754372

SCHEMBL14754372

Clc1ccc(-c2ncsc2-c2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.46
RORB Q92753 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1B1 Q16678 1/20 0.41
IDO1 P14902 1/20 0.40
KMO O15229 6/20 0.40
ADORA1 P30542 1/20 0.39
CASP3 P42574 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL14754392 0.90 ADORA1 (0.48) AHRRORBALDH1A1KDM4EHPGD
SCHEMBL14754361 0.89 KMO (0.40) AHRRORBALDH1A1KDM4EHPGD
SCHEMBL28294045 0.80 AHR (0.45) AHRRORBCYP1B1IDO1KMO
SCHEMBL10151034 0.78 RORB (0.34) AHRRORBALDH1A1KDM4EHPGD
SCHEMBL14754371 0.76 AHR (0.41) AHRRORBALDH1A1KDM4EHPGD
SCHEMBL9585598 0.75 KDM4E (0.61) AHRKDM4EKMONPC1RAB9A
SCHEMBL10151285 0.74 GRM5 (0.34) AHRRORBALDH1A1KDM4EHPGD
SCHEMBL14754409 0.74 RORB (0.40) AHRRORBIDO1KMOMAPT
SCHEMBL14754407 0.72 KMO (0.45) RORBALDH1A1KDM4EHPGDKMO
SCHEMBL10432895 0.72 KMO (0.43) AHRRORBKDM4EKMONPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 AHR 535/4885RORB 1074/4885ALDH1A1 968/4885

“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.