SCHEMBL13723002

SCHEMBL13723002

CC(C)CC#Cc1ccc(-c2cccc(N)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 4/20 0.39
▸ GRM5 P41594 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ LARS1 Q9P2J5 1/20 0.31
▸ BRS3 P32247 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
SCHEMBL13723660 0.79 GRM5 (0.43) IDH1GRM5HTR2AASIC3NOS3
SCHEMBL10130883 0.73 IDH1 (0.43) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL10130898 0.72 GRM5 (0.48) IDH1GRM5HTR2ANOS3NOS1
SCHEMBL12680213 0.71 ASIC3 (0.42) IDH1ASIC3NOS3NOS1BRS3
SCHEMBL13723803 0.70 IDH1 (0.39) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL13722749 0.70 IDH1 (0.41) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL15633015 0.69 CYP2A6 (0.40) GRM5CYP1A2CYP2E1CYP2A6CYP2B6
SCHEMBL12681427 0.69 CCR1 (0.59) IDH1CYP2A6ASIC3NOS3NOS1
SCHEMBL10161832 0.68 NPC1 (0.42) IDH1ASIC3NOS3NOS1BRS3
SCHEMBL13514037 0.66 SMN1; SMN2 (0.49) ASIC3NOS3NOS1BRS3

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-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 — — US disclosed
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 — — 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-20090209547-A1 C-8 HALOGENATED MACROLIDES CYP2C8, CCR8, CXCL8 IDH1 3129/4885GRM5 4412/4885CYP1A2 94/4885

“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.

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