SCHEMBL4655364

SCHEMBL4655364

COC(=NCc1cnc(Cl)s1)N[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
BMP1 P13497 1/20 0.33

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
SCHEMBL7840106 0.81 RECQL (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL9843190 0.80 RECQL (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL8801770 0.79 L3MBTL1 (0.39) RECQLMAPTPOLBGAAKMT2A
SCHEMBL8198330 0.78 MAPT (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL8805455 0.77 RECQL (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7036880 0.75 CHRNB2 (0.42) MAPTPOLBGAAKMT2AALDH1A1
SCHEMBL4655363 0.74 RECQL (0.44) RECQLMAPTPOLBGAAKMT2A
SCHEMBL4655361 0.74 RECQL (0.44) RECQLMAPTPOLBGAAKMT2A
SCHEMBL12077058 0.73 KMT2A (0.43) RECQLMAPTPOLBGAAKMT2A
Clothianidine SCHEMBL21215 0.71 RECQL (0.39) RECQLMAPTPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873325-B1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP claimed
US-6166215-A Process for producing guanidine derivatives, intermediates therefor and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US claimed
US-6008363-A REACTING AN O-METHYL-N-NITROSOUREA COMPOUND OR SALT WITH AN HETEROCYCLIC AMINE COMPOUND; FREE OF BAD SMELL; HIGH YIELD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-28 US claimed
EP-0873325-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1998-10-28 EP claimed
WO-1997000867-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-09 WO claimed
US-8754235-B2 Method for producing 5-(aminomethyl)-2-chlorothiazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-17 US disclosed
EP-2511270-A1 METHOD FOR PRODUCING 5-(AMINOMETHYL)-2-CHLOROTHIAZOLE Sumitomo Chemical Company, Limited (JP) 2012-10-17 EP disclosed
US-20120226049-A1 METHOD FOR PRODUCING 5-(AMINOMETHYL)-2-CHLOROTHIAZOLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-06 US disclosed
EP-1997802-A1 METHOD FOR NITRATING ISOUREA Sumitomo Chemical Company, Limited (JP) 2008-12-03 EP disclosed
EP-0873325-B1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
EP-1042292-B1 METHOD FOR PRODUCING ISOUREAS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-06 EP disclosed
US-6265582-B1 NITRATING O-SUBSTITUTED ISOUREA, REACTING WITH AMINOMETHYL-SUBSTITUTED HETEROCYCLIC COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
US-6166215-A Process for producing guanidine derivatives, intermediates therefor and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
JP-2000281665-A METHOD FOR PURIFYING GUANIDINE DERIVATIVE TAKEDA CHEM IND LTD 2000-10-10 JP disclosed
US-6008363-A REACTING AN O-METHYL-N-NITROSOUREA COMPOUND OR SALT WITH AN HETEROCYCLIC AMINE COMPOUND; FREE OF BAD SMELL; HIGH YIELD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-28 US disclosed
EP-0873325-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1998-10-28 EP disclosed
WO-1997000867-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-09 WO 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-20120226049-A1 METHOD FOR PRODUCING 5-(AMINOMETHYL)-2-CHLOROTHIAZOLE NOS2, CA2, AASDHPPT RECQL 4598/4885MAPT 1162/4885POLB 2729/4885

“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.