SCHEMBL8140367

SCHEMBL8140367

COc1ccc2c(OC)nc(-c3ccc(OC(F)(F)F)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
MAT2A P31153 1/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
DHODH Q02127 1/20 0.41
CHRNA7 P36544 4/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PPM1A P35813 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15483442 0.90 ACP1 (0.44) ACP1NPC1RAB9AMAT2AKDM4E
SCHEMBL13954094 0.88 ACP1 (0.44) ACP1NPC1RAB9AMAT2AKDM4E
SCHEMBL8301724 0.86 ACP1 (0.50) ACP1NPC1RAB9AMAT2AKDM4E
SCHEMBL8191159 0.85 DHODH (0.46) ACP1NPC1RAB9ACASP3SENP7
SCHEMBL8186120 0.85 ACP1 (0.45) ACP1NPC1RAB9ACASP3SENP7
SCHEMBL12463992 0.82 NPC1 (0.48) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL13763566 0.82 IDH1 (0.50) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8300158 0.81 NPC1 (0.59) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8272617 0.80 APP (0.49) ACP1NPC1RAB9ACASP3SENP7
SCHEMBL12464010 0.76 KDM4E (0.46) NPC1RAB9ACASP3SENP7KDM4E

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
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ACP1 4151/4885NPC1 516/4885RAB9A 1694/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ACP1 4151/4885NPC1 516/4885RAB9A 1694/4885

“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.