SCHEMBL29314628

SCHEMBL29314628

COc1ccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFTR P13569 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
NAMPT P43490 1/20 0.37
THRB P10828 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MAPT P10636 2/20 0.36
FLT3 P36888 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29314631 0.92 ABL1 (0.45) POLBALDH1A1RAB9AKMT2AMEN1
SCHEMBL29314690 0.92 RAB9A (0.42) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL29314632 0.90 ABL1 (0.45) NAMPTABL1BCR
SCHEMBL29320239 0.90 TLR7 (0.41) NPC1POLBALDH1A1RAB9AKMT2A
SCHEMBL29320251 0.90 NAMPT (0.36) KMT2AMEN1CFTRNAMPTABL1
SCHEMBL29314661 0.89 CFTR (0.40) POLBALDH1A1CFTRKDM4ENAMPT
SCHEMBL29314624 0.89 KDM4E (0.39) NPC1POLBALDH1A1RAB9AKMT2A
SCHEMBL29320192 0.87 TLR7 (0.39) NAMPT
SCHEMBL29314645 0.87 TLR7 (0.35) ALDH1A1GAANAMPTMAPT
SCHEMBL29314692 0.86 L3MBTL1 (0.42) POLBALDH1A1RAB9ASMN1; SMN2CFTR

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 2 patents. 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
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 NPC1 84/4885POLB 3822/4885ALDH1A1 843/4885

“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.