SCHEMBL1497583

SCHEMBL1497583

CC(C)=CC(=O)CCCC(=O)N1CCN(c2cc(Cl)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 4/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 1/20 0.38
GAA P10253 2/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL1497654 0.82 PIK3CA (0.47) PIK3CA
SCHEMBL2396607 0.80 KMT2A (0.36) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1497585 0.80 PIK3CD (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1497566 0.73 PIK3CA (0.44) PIK3CDPIK3CAPIK3CB
SCHEMBL1497687 0.73 PIK3CA (0.44) PIK3CDPIK3CAPIK3CB
SCHEMBL1309176 0.73 MAPT (0.63) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1497394 0.72 SMN1; SMN2 (0.49) KMT2AALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL13196341 0.72 AKT1 (0.46) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1497553 0.72 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12489220 0.70 PIK3CA (0.48) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B NPC1 1750/4885RAB9A 1847/4885KMT2A 2741/4885

“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.