SCHEMBL263840

SCHEMBL263840

Cc1nc(-c2ccc(F)cc2Cl)sc1CCO[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
LMNA P02545 5/20 0.38
TP53 P04637 6/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 6/20 0.37
PTPN1 P18031 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL264051 0.91 S1PR4 (0.38) S1PR4LMNATP53THRBMAPT
SCHEMBL259974 0.89 MAPT (0.44) S1PR4CDC7DBF4LMNATP53
SCHEMBL263515 0.89 MAPT (0.38) LMNATP53THRBMAPT
SCHEMBL260562 0.86 TP53 (0.41) LMNATP53MAPTPTPN1
SCHEMBL264090 0.86 MAPT (0.36) S1PR4LMNATP53THRBMAPT
SCHEMBL264099 0.85 S1PR4 (0.40) S1PR4LMNATP53THRBMAPT
SCHEMBL263504 0.81 FFAR1 (0.33) LMNATP53THRBMAPT
SCHEMBL259807 0.81 FFAR1 (0.47) LMNATP53THRBMAPTPTGS2
SCHEMBL263578 0.80 MAPT (0.46) LMNATP53THRBMAPTPTPN1
SCHEMBL280036 0.80 CDC7 (0.39) CDC7DBF4LMNATP53THRB

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-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-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-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-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 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 (2 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-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 S1PR4 2043/4885CDC7 3630/4885DBF4 1530/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 S1PR4 1300/4885CDC7 3290/4885DBF4 1321/4885

“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.