SCHEMBL5882310

SCHEMBL5882310

Cc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)cc(N2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
EP300 Q09472 4/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HAT1 O14929 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 3/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL5882350 0.86 EP300 (0.41) PANK3MAPTALDH1A1GAAKMT2A
SCHEMBL5882136 0.85 MMP2 (0.45) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5882363 0.82 F7 (0.53) NPC1RAB9AALDH1A1GAAUSP2
Hydrochloric Acid SCHEMBL5882314 0.81 F7 (0.53) NPC1RAB9AALDH1A1GAAUSP2
SCHEMBL5883111 0.80 MMP2 (0.41) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL5882702 0.80 MMP2 (0.41) MAPTALDH1A1GAAL3MBTL1KMT2A
SCHEMBL5883066 0.79 CTSL (0.43) PANK3MAPTALDH1A1EP300HAT1
SCHEMBL5882358 0.78 KDM4E (0.57) KDM4EESR2
SCHEMBL5883232 0.77 EPHX1 (0.43) NPC1RAB9AALDH1A1MMP2
SCHEMBL5882113 0.77 F10 (0.42) MAPTRAB9AALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PANK3 4241/4885MAPT 1417/4885NPC1 510/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PANK3 4241/4885MAPT 1417/4885NPC1 510/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PANK3 4241/4885MAPT 1417/4885NPC1 510/4885

“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.