SCHEMBL24499052

SCHEMBL24499052

C#Cc1nc(C(=O)NCc2ccc(C(=O)OC)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL24498998 0.88 HIF1A (0.51) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177586 0.86 ENPP2 (0.52) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177798 0.84 CYP1A2 (0.50) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL24499014 0.84 HDAC3 (0.51) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL24498363 0.83 HDAC3 (0.50) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL24498987 0.82 SMN1; SMN2 (0.54) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177740 0.81 MAPK8 (0.57) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177626 0.81 EPHX2 (0.48) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177570 0.81 PDE2A (0.51) CYP2C9CYP1A2CYP3A4CYP2C19POLB
SCHEMBL27177807 0.81 HDAC1 (0.48) CYP2C9CYP1A2CYP3A4CYP2C19POLB

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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 CYP2C9 581/4885CYP1A2 200/4885CYP3A4 134/4885

“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.