SCHEMBL4649622

SCHEMBL4649622

O=[N+]([O-])c1cccc(-c2ncco2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PSMB8 P28062 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GRM5 P41594 1/20 0.53
PDE4D Q08499 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL984873 0.80 KCNJ1 (0.67) NPC1RAB9AMAPTALDH1A1CHRNB2
SCHEMBL3964365 0.79 HPGDS (0.58)
SCHEMBL28056039 0.77 KCNJ1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL16412236 0.77 KCNJ1 (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL18731512 0.76 KCNJ1 (0.45) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL16159319 0.76 HPGDS (0.55) PSMB8
SCHEMBL6738366 0.75 TSHR (0.76) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4330245 0.75 NPC1 (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5201307 0.75 HPGDS (0.50) CYP3A4MAPK1
SCHEMBL27743881 0.75 CYP1A2 (0.59) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
CN-103145738-A Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC 2013-06-12 CN disclosed
CN-101326155-B Propionamide compounds as antiinflammatory agents HOFFMANN LA ROCHE 2012-06-20 CN disclosed
CN-101326155-A Propionamide compounds as antiinflammatory agents HOFFMANN LA ROCHE (CH) 2008-12-17 CN disclosed
CN-101316853-A Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-12-03 CN disclosed
CN-101282761-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101277963-A Benzimidazole derivatives as SIRTUIN modulators SIRTIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
CN-101277965-A Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
EP-1960351-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
CN-1509291-A Oxazolo-and-furopyrimidines and their use in medicaments against tumors ��˹��ŵ�� 2004-06-30 CN disclosed
US-5770615-A Catecholamine surrogates useful as β3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-23 US disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 WO disclosed
US-5514809-A METHINE DYES; BENZOTHIAZOLE DERIVATIVES; SENSITIZERS; AGING PRESERVABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-05-07 US disclosed
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 NPC1 66/4885RAB9A 3766/4885MAPT 3263/4885

“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.