SCHEMBL856883

SCHEMBL856883

CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
RAPGEF4 Q8WZA2 1/20 0.50
CYP3A4 P08684 1/20 0.48
APEX1 P27695 1/20 0.48
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.45
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30667273 1.00 EPHX1 (0.52) EPHX1EPHX2RAPGEF4CYP3A4APEX1
Hydrochloric Acid SCHEMBL1027315 0.97 EPHX1 (0.50) EPHX1EPHX2RAPGEF4CYP3A4APEX1
SCHEMBL3786506 0.80 ALDH1A1 (0.37) EPHX1EPHX2RAPGEF4CYP3A4APEX1
SCHEMBL3624226 0.80 RAPGEF4 (0.57) RAPGEF4CYP3A4MEN1MAPTKMT2A
SCHEMBL3781932 0.80 ALDH1A1 (0.37) EPHX1EPHX2RAPGEF4CYP3A4APEX1
SCHEMBL10979467 0.80 RAPGEF4 (0.42) RAPGEF4MEN1MAPTKMT2ALMNA
SCHEMBL24267985 0.78 MAPT (0.52) CYP3A4MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL27585338 0.78 RAPGEF4 (0.55) RAPGEF4CYP3A4MEN1MAPTKMT2A
SCHEMBL3786386 0.78 TSHR (0.50) CYP3A4CA2CA4CA5ACA9
SCHEMBL10001895 0.78 HSD17B10 (0.50) EPHX2CYP3A4CA2MAPTLMNA

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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886718-B Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-05-24 CN claimed
CN-117886718-A Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-04-16 CN claimed
WO-2017160709-A1 WATER SOLUBLE HALOANILIDE CALCIUM-RELEASE CALCIUM CHANNEL INHIBITORY COMPOUNDS AND METHODS TO CONTROL BONE EROSION AND INFLAMMATION ASSOCIATED WITH ARTHRITIDES WEST VIRGINIA UNIVERSITY (US) 2017-09-21 WO claimed
US-20170260128-A1 Water Soluble Haloanilide Calcium-Release Calcium Channel Inhibitory Compounds and Methods to Control Bone Erosion and Inflammation Associated with Arthritides WEST VIRGINIA UNIVERSITY 2017-09-14 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
EP-1236720-B1 Sulfonyl pyridazinone compounds useful as aldose reductase inhibitors PFIZER PROD INC (US) 2005-06-15 EP claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
US-6730674-B2 ANTIDIABETIC AGENTS PFIZER INC 2004-05-04 US claimed
US-20030004139-A1 Sulfonyl pyridazinone compounds useful as aldose reductase inhibitors MARTIN WILLIAM H (US) 2003-01-02 US claimed
EP-1236720-A1 Sulfonyl pyridazinone compounds useful as aldose reductase inhibitors Pfizer Products Inc. (US) 2002-09-04 EP claimed
EP-4499641-A1 A3 ADENOSINE RECEPTOR POSITIVE ALLOSTERIC MODULATORS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2025-02-05 EP disclosed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-4286983-A INCLUDING COMPOUNDS OF THE N-PHENYL-N',N'-DIETHYL ALKYLENEDIAMINE TYPE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1981-09-01 US disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 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 (4 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 EPHX1 1214/4885EPHX2 1328/4885RAPGEF4 344/4885
US-20170260128-A1 Water Soluble Haloanilide Calcium-Release Calcium Channel Inhibitory Compounds and Methods to Control Bone Erosion and Inflammation Associated with Arthritides TRPV3, TRPV6, ORAI1 EPHX1 3235/4885EPHX2 2833/4885RAPGEF4 1076/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL EPHX1 1665/4885EPHX2 2736/4885RAPGEF4 2779/4885
US-20030004139-A1 Sulfonyl pyridazinone compounds useful as aldose reductase inhibitors ALDOA, PDXK, AKR1B1 EPHX1 1213/4885EPHX2 1479/4885RAPGEF4 3289/4885

“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.