SCHEMBL260362

SCHEMBL260362

Cc1nc(-c2cccc(Cl)c2Cl)sc1CCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
HTR2C P28335 3/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
FFAR2 O15552 1/20 0.35
PTPN1 P18031 2/20 0.35
PSD A5PKW4 1/20 0.33
PANK3 Q9H999 1/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 3/20 0.32
FFAR1 O14842 1/20 0.32
USP7 Q93009 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL260079 0.87 SCN3A (0.38) PTPN1MAPTLMNAFFAR1TP53
SCHEMBL263837 0.84 PTPN1 (0.35) PTPN1MAPTRXFP1LMNAFFAR1
SCHEMBL259269 0.84 TP53 (0.39) HTR2CPTPN1MAPTSMN1; SMN2RXFP1
SCHEMBL259870 0.83 HTR2C (0.48) HTR2CALDH1A1KDM4ELMNAFFAR1
SCHEMBL260208 0.82 HTR2B (0.43) HTR2CCDC7DBF4MAPTALDH1A1
SCHEMBL259553 0.82 MAPT (0.39) HTR2CMAPTALDH1A1NPC1RAB9A
SCHEMBL259807 0.82 FFAR1 (0.47) HTR2CMAPTLMNAFFAR1TP53
SCHEMBL263575 0.82 MAPT (0.38) PTPN1MAPTLMNAFFAR1TP53
SCHEMBL264042 0.82 FFAR1 (0.40) HTR2CPTPN1MAPTLMNAFFAR1
SCHEMBL259974 0.82 MAPT (0.44) CDC7DBF4PTPN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US claimed
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 US disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US disclosed
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US 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 (7 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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR P2RX7 1475/4885HTR2C 1518/4885CDC7 3821/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 P2RX7 652/4885HTR2C 1520/4885CDC7 3132/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 P2RX7 500/4885HTR2C 711/4885CDC7 3630/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR P2RX7 1475/4885HTR2C 1518/4885CDC7 3821/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 P2RX7 384/4885HTR2C 1300/4885CDC7 3210/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 P2RX7 284/4885HTR2C 1620/4885CDC7 3290/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 P2RX7 845/4885HTR2C 959/4885CDC7 3807/4885

“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.