SCHEMBL534233

SCHEMBL534233

Clc1ccc(Cl)c(-c2cc[c]cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
PTPN11 Q06124 2/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AHR P35869 2/20 0.38
MAPT P10636 1/20 0.37
S100A4 P26447 1/20 0.37
RAB9A P51151 1/20 0.37
DUSP3 P51452 1/20 0.37
CNR2 P34972 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL434492 0.83 AHR (0.57) TP53ALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL2473835 0.81 AHR (0.54) TP53HTR2BPDE4DPTPN11IDO1
SCHEMBL3538768 0.81 FASN (0.38) AHRS100A4
SCHEMBL6279612 0.79 TSHR (0.46) TP53HTR2BPDE4DIDO1ALDH1A1
SCHEMBL27483871 0.79 CA1 (0.47) TP53IDO1ALDH1A1TSHRCYP3A4
SCHEMBL9593359 0.79 AHR (0.53) TP53AHRRAB9ACNR2
SCHEMBL3538484 0.79 ABL1 (0.40) AHR
SCHEMBL10944560 0.79 ALKBH3 (0.40) TP53ALDH1A1TSHRTDP1AHR
SCHEMBL15637040 0.78 TP53 (0.38) TP53HTR2BPDE4DPTPN11IDO1
SCHEMBL2934398 0.77 CYP2A6 (0.58) TP53HTR2BPDE4DALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014099837-A1 SULFONAMIDE ANTHELMINTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-06-26 WO disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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-4524168-A AZO DYES CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 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 (5 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 TP53 2735/4885HTR2B 3998/4885PDE4D 1326/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TP53 4576/4885HTR2B 463/4885PDE4D 776/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TP53 4251/4885HTR2B 3707/4885PDE4D 1199/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TP53 4643/4885HTR2B 398/4885PDE4D 519/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 TP53 3018/4885HTR2B 1554/4885PDE4D 1727/4885

“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.