Sugi Predict

Sugi Predict / Compounds / SCHEMBL280473

SCHEMBL280473

SCHEMBL280473

Cc1nc(NC(=O)[C@@H]2CCCN2)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CCNE2 O96020 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ SCN4A P35499 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PRCP P42785 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL259918 0.83 RAB9A (0.38) RAB9ASMN1; SMN2NPC1CCNE2CCNE1
SCHEMBL263911 0.83 RAB9A (0.38) RAB9ASMN1; SMN2NPC1CCNE2CCNE1
SCHEMBL280450 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL14210095 0.76 RAB9A (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL280241 0.75 MKNK1 (0.31) —
SCHEMBL280302 0.73 ITGB3 (0.32) ALDH1A1
SCHEMBL279767 0.73 ITGB3 (0.32) ALDH1A1
SCHEMBL24435327 0.72 NPC1 (0.43) RAB9ASMN1; SMN2NPC1CCNE2CCNE1
SCHEMBL12646852 0.72 ITGB3 (0.43) RAB9ANPC1ALDH1A1
SCHEMBL280325 0.70 ITGB3 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 — — 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

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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR RAB9A 4299/4885SMN1; SMN2 1627/4885NPC1 1164/4885

“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.