SCHEMBL10176256

SCHEMBL10176256

C=C(c1ccc2c(c1)OCO2)c1cc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
RAB9A P51151 7/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
FLT3 P36888 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL10227639 0.84 FLT3 (0.58) DRD2DRD3RAB9AMAPTNPC1
SCHEMBL5653870 0.75 FLT3 (0.64) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL21264824 0.73 NPC1 (0.69) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL10176252 0.71 KDM4E (0.50) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL11820723 0.70 PDE10A (0.66) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL13814197 0.69 NPC1 (0.54) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL29962341 0.69 CYP1A2 (0.42) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL10176247 0.69 FLT3 (0.44) MAPTALDH1A1MAPK1HSD17B10GAA
SCHEMBL8623358 0.67 MEN1 (0.57) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL16560481 0.67 ALDH1A1 (0.66) RAB9AMAPTNPC1ALDH1A1MAPK1

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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 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 (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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 DRD2 2344/4885DRD3 2758/4885RAB9A 2378/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 DRD2 2357/4885DRD3 2883/4885RAB9A 2018/4885

“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.