SCHEMBL2058950

SCHEMBL2058950

Cc1nc(C(N)c2cccnc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.32
CTSA P10619 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 3/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2A6 P11509 1/20 0.30
CYP2D6 P10635 3/20 0.30
HRH1 P35367 3/20 0.30
CHRM1 P11229 2/20 0.30
CYP3A4 P08684 2/20 0.30
KCNH2 Q12809 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL263985 0.79 PTGS1 (0.40) MEN1KMT2AMAPTPTGS1PTGS2
Hydrochloric Acid SCHEMBL6277789 0.78 TKT (0.37) CYP2C19MAPTCTSALMNASLC6A3
SCHEMBL260409 0.78 MAPT (0.51) CYP2C19MEN1CYP2C9ALOX15KMT2A
SCHEMBL260520 0.76 MEN1 (0.39) CYP2C19MEN1CYP2C9ALOX15KMT2A
SCHEMBL264043 0.76 GAA (0.33) MAPTPTGS1PTGS2LMNASLC6A3
SCHEMBL259132 0.75
SCHEMBL4464661 0.74 AAK1 (0.32)
SCHEMBL264147 0.74 RAB9A (0.44) CYP2C19MEN1CYP2C9ALOX15KMT2A
SCHEMBL263734 0.73
SCHEMBL260251 0.72 TP53 (0.57) CYP2C19MEN1CYP2C9ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US claimed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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

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-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 CYP2C19 12/4885MEN1 2519/4885CYP2C9 14/4885

“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.