SCHEMBL3606511

SCHEMBL3606511

COC(=O)c1cc2c(C)c(C)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.47
XDH P47989 2/20 0.46
ULK1 O75385 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 1/20 0.46
NR4A2 P43354 2/20 0.43
MAPT P10636 4/20 0.43
HCRTR1 O43613 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL19332468 0.84 RAB9A (0.48) RAB9ANPC1CYP1A2XDHULK1
SCHEMBL19331227 0.84 CYP1A2 (0.45) RAB9ANPC1CYP1A2XDHULK1
SCHEMBL16030401 0.84 CYP1A2 (0.45) RAB9ANPC1CYP1A2XDHULK1
SCHEMBL16149603 0.84 RAB9A (0.48) RAB9ANPC1CYP1A2XDHULK1
SCHEMBL6739125 0.84 KDM4E (0.58) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3107966 0.81 ALDH1A1 (0.54) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2134591 0.81 FLT3 (0.58) CYP1A2XDHULK1KDM4EALDH1A1
SCHEMBL11740760 0.79 ALDH1A1 (0.41) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8318563 0.77 GLA (0.49) RAB9ACYP1A2XDHULK1KDM4E
SCHEMBL19331400 0.76 HRH4 (0.56) RAB9ANPC1CYP1A2XDHULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT RAB9A 3211/4885NPC1 1710/4885CYP1A2 234/4885

“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.