SCHEMBL770153

SCHEMBL770153

O=C1c2ccccc2C(=O)N1Cc1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CHRM5 P08912 1/20 0.48

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
SCHEMBL21528071 0.83 CASP3 (0.57) CASP3CA12CA1CA2CA9
SCHEMBL12184819 0.81 CASP3 (0.56) CASP3CA12CA1CA2CA9
SCHEMBL7671966 0.81 CASP3 (0.50) CASP3CA12CA1CA2CA9
SCHEMBL18668950 0.79 CES2 (0.67) CASP3CA12CA1CA2CA9
SCHEMBL29417352 0.79 CHRM5 (0.63) CASP3MAPTALDH1A1CHRM5
SCHEMBL28704458 0.79 CHRM5 (0.63) CASP3MAPTALDH1A1CHRM5
SCHEMBL2418409 0.78 KMT2A (0.55) CASP3CA12CA1CA2CA9
SCHEMBL30116791 0.78 KMT2A (0.55) CASP3CA12CA1CA2CA9
SCHEMBL6922748 0.77 KMT2A (0.66) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL8299351 0.77 KDM4E (0.59) CASP3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509559-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-04 EP claimed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN claimed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US claimed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP claimed
JP-3223252-A None JP disclosed
CN-112047925-B Preparation method of N- (aryl/heteroaryl) alkyl-diamide 中国科学院兰州化学物理研究所 2021-06-25 CN disclosed
CN-112047925-A Preparation method of N- (aryl/heteroaryl) alkyl-diamide 中国科学院兰州化学物理研究所 2020-12-08 CN disclosed
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
JP-H03223252-A PRODUCTION OF SUBSTITUTED METHYLAMINE COMPOUND NIPPON SODA CO LTD 1991-10-02 JP disclosed
US-5026864-A Preparation of 2-chloro-5-aminomethyl-pyridine BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
EP-0425030-A2 Butenone compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-05-02 EP disclosed
CN-1031079-A Alpha-unsaturated amines, process for their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-02-15 CN disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP 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-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CASP3 3314/4885CA12 2322/4885CA1 2220/4885

“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.