SCHEMBL29314452

SCHEMBL29314452

C=C(NCCc1cc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2[nH]1)c1csc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.33
NAMPT P43490 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
SCHEMBL29314482 0.91 HIF1A (0.42) HIF1ANAMPT
SCHEMBL29314454 0.86 NAMPT (0.30) NAMPT
SCHEMBL29314465 0.84 NAMPT (0.32) NAMPT
SCHEMBL29315396 0.82 NAMPT (0.36) HIF1ANAMPT
SCHEMBL29314466 0.80
SCHEMBL29314485 0.79 NAMPT (0.36) NAMPT
SCHEMBL29325284 0.77 NAMPT (0.40) NAMPT
SCHEMBL29315385 0.77 DHFR (0.36) NAMPT
SCHEMBL29315388 0.77 ALDH1A1 (0.34) NAMPT
SCHEMBL29315466 0.77 NAMPT (0.35) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD HIF1A 263/4885NAMPT 122/4885

“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.