SCHEMBL8790625

SCHEMBL8790625

CC(C)(C)NC(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
RAB9A P51151 2/20 0.70
NPC1 O15118 1/20 0.70
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
RIPK1 Q13546 1/20 0.57
EPHX1 P07099 1/20 0.56
PPID Q08752 1/20 0.55
TP53 P04637 1/20 0.54
LMNA P02545 3/20 0.54
PTPN1 P18031 1/20 0.54
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MMP8 P22894 1/20 0.51
CFD P00746 1/20 0.50

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
SCHEMBL10937805 0.84 MAPT (0.57) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10025280 0.84 RAB9A (0.71) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2172486 0.83 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9260504 0.82 TPSAB1 (0.58) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7375328 0.82 NPC1 (1.00) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7478785 0.82 PPID (0.57) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10263540 0.82 HPGD (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6033584 0.82 TP53 (0.75) MAPTALDH1A1SMN1; SMN2EPHX1TP53
SCHEMBL714625 0.82 EPHX1 (0.77) ALDH1A1SMN1; SMN2EPHX1PPIDTP53
SCHEMBL1053085 0.81 ALDH1A1 (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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 (3 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 MAPT 717/4885RAB9A 2652/4885NPC1 852/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX MAPT 4084/4885RAB9A 2708/4885NPC1 1477/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM MAPT 2063/4885RAB9A 1259/4885NPC1 1547/4885

“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.