SCHEMBL5653764

SCHEMBL5653764

CCc1ccc(-c2ccc(C(=O)NCC(=O)N3CCc4ccccc4C3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
THRB P10828 1/20 0.56
VDR P11473 1/20 0.56
POLB P06746 1/20 0.53
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
TAOK3 Q9H2K8 4/20 0.51

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
SCHEMBL31458352 1.00 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL31458292 0.92 ALDH1A1 (0.57) ALDH1A1L3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL5654808 0.92 ALDH1A1 (0.57) ALDH1A1L3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL5652343 0.79 MAPT (0.58) RAB9AMEN1KMT2APOLBTAOK3
SCHEMBL8429770 0.78 HPGD (0.71) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL16239253 0.75 NPC1 (0.55) L3MBTL1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL21514157 0.74 ALDH1A1 (0.64) ALDH1A1L3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL13983486 0.73 KMT2A (0.62) ALDH1A1L3MBTL1SMN1; SMN2RAB9AKMT2A
SCHEMBL14422178 0.73 TAOK1 (0.56) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL14723196 0.72 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTSMN1; SMN2RAB9A

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 4 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
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
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 1991/4885HTT 4318/4885

“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.