SCHEMBL13763566

SCHEMBL13763566

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.50
ALK Q9UM73 1/20 0.50
MEN1 O00255 4/20 0.48
NPC1 O15118 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ESR2 Q92731 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP4B1 P13584 1/20 0.47

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
SCHEMBL12463992 0.85 NPC1 (0.48) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL8300158 0.85 NPC1 (0.59) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL8272617 0.83 APP (0.49) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL8140367 0.82 ACP1 (0.46) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL12464010 0.80 KDM4E (0.46) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL14860773 0.78 NPC1 (0.57) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL13444243 0.77 CYP1A2 (0.41) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL13443764 0.77 NPC1 (0.59) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL8273166 0.76 NPC1 (0.65) NPC1MAPTRAB9ACYP3A4CYP2C9
SCHEMBL28034150 0.76 NPC1 (0.44) IDH1MEN1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 IDH1 1551/4885ALK 4800/4885MEN1 4292/4885

“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.