SCHEMBL1415902

SCHEMBL1415902

Clc1ccc(-c2cc[c]s2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TP53 P04637 1/20 0.38
HSD11B1 P28845 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2751874 0.85 TP53 (0.38) ALDH1A1RAB9ATP53TSHRHSD17B10
SCHEMBL5917558 0.83 NOTUM (0.40) ALDH1A1KDM4EGAAHSD11B1ESR1
SCHEMBL5917653 0.81 ESR1 (0.37) RAB9ATP53ESR1ESR2TSHR
SCHEMBL5917656 0.79 HSP90AA1 (0.42) ALDH1A1KDM4EHSP90AA1HSP90AB1HPGD
SCHEMBL5917590 0.78 IDO1 (0.39) ALDH1A1KDM4ECYP3A4HPGDS100A4
SCHEMBL6017954 0.78 GLA (0.34) RAB9AKDM4EGAAHSD11B1TSHR
SCHEMBL5917604 0.74 ERN1 (0.43) KDM4EHSP90AA1HSP90AB1MAPTKMT2A
SCHEMBL5917525 0.72 AGPAT2 (0.44) GAATP53TSHRHPGDMAPT
SCHEMBL208889 0.71 CYP1A2 (0.37) AHRALDH1A1RAB9AKDM4EMGAM
SCHEMBL464507 0.71 AHR (0.64) AHRALDH1A1RAB9AKDM4EMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
EP-2066643-B1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2011-03-16 EP disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 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 (3 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 AHR 688/4885ALDH1A1 1588/4885RAB9A 2914/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 AHR 299/4885ALDH1A1 2607/4885RAB9A 3677/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R AHR 137/4885ALDH1A1 1516/4885RAB9A 1618/4885

“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.