SCHEMBL5654808

SCHEMBL5654808

CCc1ccc(-c2ccc(C(=O)NCC(=O)N3Cc4ccccc4C3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TAOK3 Q9H2K8 6/20 0.55
TAOK1 Q7L7X3 6/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRD1 P41143 1/20 0.48
NAMPT P43490 6/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
P2RY12 Q9H244 1/20 0.46

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
SCHEMBL31458292 1.00 ALDH1A1 (0.57) ALDH1A1L3MBTL1TAOK3TAOK1HTT
SCHEMBL5653764 0.92 ALDH1A1 (0.69) ALDH1A1L3MBTL1TAOK3TAOK1HTT
SCHEMBL31458352 0.92 ALDH1A1 (0.69) ALDH1A1L3MBTL1TAOK3TAOK1HTT
SCHEMBL5652343 0.81 MAPT (0.58) TAOK3TAOK1RAB9AP2RY12
SCHEMBL14422178 0.78 TAOK1 (0.56) TAOK3TAOK1OPRM1OPRK1OPRD1
SCHEMBL13983486 0.75 KMT2A (0.62) ALDH1A1L3MBTL1SMN1; SMN2RAB9AP2RY12
SCHEMBL14422176 0.73 TAOK1 (0.73) ALDH1A1TAOK3TAOK1NPC1RAB9A
SCHEMBL13058919 0.72 RAB9A (0.59) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL32676758 0.72 OPRM1 (0.58) TAOK3TAOK1OPRM1OPRK1OPRD1
SCHEMBL32676662 0.72 OPRM1 (0.58) TAOK3TAOK1OPRM1OPRK1OPRD1

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-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US claimed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 ALDH1A1 4424/4885L3MBTL1 1991/4885TAOK3 2/4885

“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.