SCHEMBL10176252

SCHEMBL10176252

C=C(c1cccc(-c2ccccc2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
DAO P14920 1/20 0.50
HPGD P15428 1/20 0.50
SRD5A2 P31213 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FLT3 P36888 2/20 0.47
EGFR P00533 3/20 0.45
PIK3CA P42336 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL10176247 0.90 FLT3 (0.44) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL13814197 0.88 NPC1 (0.54) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL10176353 0.83 FLT3 (0.38) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL10227650 0.82 FLT3 (0.65) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL5653870 0.80 FLT3 (0.64) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL10176182 0.80 FLT3 (0.54) KDM4EMAPTHPGDHSD17B10FLT3
SCHEMBL8243662 0.75 KDM4E (0.66) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL10227643 0.72 FLT3 (0.59) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL10176214 0.72 NPC1 (0.53) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL10176256 0.71 DRD2 (0.45) KDM4EMAPTDAOHPGDSRD5A2

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 KDM4E 3306/4885MAPT 56/4885DAO 3407/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 KDM4E 3541/4885MAPT 55/4885DAO 3082/4885

“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.