SCHEMBL4873093

SCHEMBL4873093

NCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
EPHX2 P34913 1/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
HPGD P15428 1/20 0.56

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
Hydrochloric Acid SCHEMBL2472969 0.98 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11641054 0.88 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL5141417 0.87 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11644163 0.86 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11647290 0.85 CA1 (0.68) MEN1KMT2AMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL19747848 0.85 CA1 (0.67) MEN1KMT2AMAPTLMNACA1
SCHEMBL18530322 0.84 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9428788 0.84 MAPT (0.62) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11692400 0.84 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7646371 0.84 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP claimed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US claimed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US claimed
EP-3224255-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2017-10-04 EP claimed
WO-2016083818-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO claimed
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
EP-3224255-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2017-10-04 EP disclosed
WO-2016083818-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-6949658-B2 Process for producing optically active α-amino acid and optically active α-amino acid amide MITSUBISHI RAYON CO., LTD. (JP) 2005-09-27 US disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
US-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine MITSUBISHI RAYON CO., LTD. (JP) 2003-09-11 US disclosed
EP-1300392-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID AND OPTICALLY ACTIVE ALPHA-AMINO ACID AMIDE Mitsubishi Rayon Co., Ltd. (JP) 2003-04-09 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 (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-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine AADAT, BCAT1, BCAT2 MEN1 3310/4885KMT2A 902/4885MAPT 2757/4885
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MEN1 816/4885KMT2A 389/4885MAPT 4519/4885
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 MEN1 1961/4885KMT2A 4237/4885MAPT 3300/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MEN1 816/4885KMT2A 389/4885MAPT 4519/4885

“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.