SCHEMBL263948

SCHEMBL263948

COc1ccc2cc([C@H](C)c3nc(C)c(CCO[N+](=O)[O-])s3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB11 O95342 1/20 0.38
AKR1C3 P42330 6/20 0.37
AKR1C2 P52895 6/20 0.37
PTGS1 P23219 3/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS2 P35354 4/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL263866 1.00 COPS5 (0.40) COPS5TSHRLMNAMAPTCYP2C9
SCHEMBL263951 0.82 ABCB11 (0.49) COPS5TSHRLMNAMAPTCYP2C9
SCHEMBL263985 0.82 PTGS1 (0.40) MAPTPTGS1PTGS2L3MBTL1
SCHEMBL280177 0.81 ABCB11 (0.41) COPS5TSHRLMNAMAPTCYP2C9
SCHEMBL279413 0.81 ABCB11 (0.41) COPS5TSHRLMNAMAPTCYP2C9
SCHEMBL260350 0.80 RIOK2 (0.48) TSHRLMNAMAPTCYP2C9AKR1C3
SCHEMBL263887 0.80 RIOK2 (0.48) TSHRLMNAMAPTCYP2C9AKR1C3
SCHEMBL263963 0.80 PTGS2 (0.42) TSHRLMNACYP2C9AKR1C3AKR1C2
SCHEMBL259143 0.80 PTGS2 (0.42) TSHRLMNACYP2C9AKR1C3AKR1C2
SCHEMBL263846 0.78 AKR1C3 (0.40) TSHRLMNAMAPTCYP2C9AKR1C3

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 9 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
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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR COPS5 3558/4885TSHR 1409/4885LMNA 4210/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 COPS5 3796/4885TSHR 2690/4885LMNA 3973/4885

“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.