SCHEMBL279841

SCHEMBL279841

Cc1nc(-c2cccnc2)sc1CCON(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
CYP3A4 P08684 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 3/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 4/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL278857 0.86 LMNA (0.48) MAPTLMNAALDH1A1ALOX5GAA
SCHEMBL279881 0.85 CDC7 (0.47) MAPTLMNAPOLBCDC7DBF4
SCHEMBL280042 0.84 MAPT (0.38) MAPTLMNA
SCHEMBL260103 0.82 MAPT (0.56) MAPTCYP3A4CYP1A2CYP2C19LMNA
SCHEMBL10206606 0.81 MAPT (0.52) MAPTLMNAPOLB
SCHEMBL280312 0.81 MAPT (0.47) MAPTLMNAKDM4EALOX5RAB9A
SCHEMBL18569063 0.80 MAPT (0.57) MAPTCYP3A4CYP1A2CYP2C19LMNA
SCHEMBL13763088 0.80 CYP1A2 (0.34) MAPTCYP1A2LMNA
SCHEMBL280016 0.79 HRH3 (0.46) CYP1A2KDM4EALDH1A1CDC7DBF4
SCHEMBL279538 0.79 MAPT (0.38) MAPTLMNA

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 MAPT 4020/4885CYP3A4 152/4885CYP1A2 164/4885

“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.