SCHEMBL5554528

SCHEMBL5554528

Nc1cc(Cl)c(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAOB P27338 2/20 0.50
MAOA P21397 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NLRP3 Q96P20 1/20 0.50
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
STK39 Q9UEW8 1/20 0.42
RHEB Q15382 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL9683631 0.83 MAOA (0.59) KMT2AMEN1MAOBMAOAMAPT
SCHEMBL11292862 0.81 HTT (0.53) KMT2AMEN1MAOBMAOAMAPT
SCHEMBL6658670 0.80 THRB (0.57) KMT2AMEN1MAOBMAOALTA4H
SCHEMBL3228597 0.80 TDP1 (0.50) KMT2AMEN1MAOBMAOATDP1
SCHEMBL10701332 0.80 MAPT (0.42) KMT2AMEN1MAOBMAPTPOLB
SCHEMBL13556591 0.79 NPBWR1 (0.44) KMT2AMEN1MAPTPOLBTDP1
Hydrochloric Acid SCHEMBL29965433 0.79 ALDH1A1 (0.52) KMT2AMEN1MAPTTDP1CYP3A4
SCHEMBL10945125 0.79 CYP1A2 (0.56) KMT2AMEN1MAOBMAOANPC1
SCHEMBL7945574 0.78 MEN1 (0.48) KMT2AMEN1MAOBMAOAMAPT
SCHEMBL9645022 0.78 LTA4H (0.52) KMT2AMEN1MAOBMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-0101990-A1 N-benzoyl-N'-phenoxyphenyl ureas, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1984-03-07 EP disclosed
US-4429156-A Process for the preparation of m-halogen-substituted anilines BAYER AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
US-4418213-A HYDRODEHALOGENATION LEWIS ACID AND NOBLE METAL CATALYSTS RHONE-POULENC AGROCHIMIE (FR) 1983-11-29 US disclosed
EP-0069907-A2 Process for preparing m-chloro-substituted anilines BAYER AG (DE) 1983-01-19 EP disclosed
US-4351959-A Process for preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-09-28 US disclosed
US-4340759-A Process for the preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-07-20 US disclosed
EP-0051782-A1 Process for the manufacture of m-halogenated anilines BAYER AG (DE) 1982-05-19 EP disclosed
US-4324914-A Process for preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-04-13 US disclosed
US-4193937-A DECHLORINATION OF CHLOROANILINES, SELECTIVE HYDROGENATION CATALYSTS OF NOBLE METAL AND SULFUR BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
US-4085141-A Process for the preparation of anilines meta-substituted by chlorine BAYER AKTIENGESELLSCHAFT (DT) 1978-04-18 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 (2 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 KMT2A 2888/4885MEN1 911/4885MAOB 2762/4885
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 KMT2A 2957/4885MEN1 4810/4885MAOB 3776/4885

“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.