SCHEMBL4129020

SCHEMBL4129020

O=S1(=O)N=CNc2cc[c]cc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
SHMT2 P34897 1/20 0.33
AKR1B1 P15121 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6110901 0.79 CA12 (0.37) CA1CA12CA2CA9
SCHEMBL29437620 0.73 CA1 (1.00) CA1CA12CA2CA9LMNA
SCHEMBL718969 0.73 CA1 (1.00) CA1CA12CA2CA9LMNA
Hydrochloric Acid SCHEMBL28023173 0.72 CA1 (0.96) CA1CA12CA2CA9LMNA
SCHEMBL6496816 0.68 CA1 (0.58) CA1CA12CA2CA9LMNA
SCHEMBL28961017 0.68 CA1 (0.58) CA1CA12CA2CA9LMNA
SCHEMBL30070404 0.68 CA1 (0.58) CA1CA12CA2CA9LMNA
SCHEMBL6505477 0.68 CA1 (0.58) CA1CA12CA2CA9LMNA
SCHEMBL2776254 0.68 CA1 (0.58) CA1CA12CA2CA9LMNA
SCHEMBL17350895 0.64 CA1 (0.57) CA1CA12CA2CA9LMNA

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CA1 4870/4885CA12 4546/4885CA2 4794/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CA1 4870/4885CA12 4546/4885CA2 4794/4885

“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.