SCHEMBL10176247

SCHEMBL10176247

C=C(c1cccc(-c2ccc3ccccc3c2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
SIRT2 Q8IXJ6 8/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
EGFR P00533 3/20 0.40
PIK3CA P42336 3/20 0.40
MAP2K1 Q02750 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL10176252 0.90 KDM4E (0.50) FLT3KDM4EMAPTDAOHPGD
SCHEMBL13814197 0.84 NPC1 (0.54) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10227643 0.83 FLT3 (0.59) FLT3SIRT2KDM4EMAPTDAO
SCHEMBL10176353 0.80 FLT3 (0.38) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10176214 0.78 NPC1 (0.53) KDM4EMAPTHPGDALDH1A1ESR1
SCHEMBL5653870 0.77 FLT3 (0.64) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10176182 0.76 FLT3 (0.54) FLT3KDM4EMAPTHPGDHSD17B10
SCHEMBL10227650 0.72 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10227642 0.71 FLT3 (0.54) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10729949 0.70 ALDH1A1 (0.50) FLT3KDM4EHPGDHSD17B10PDGFRB

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 FLT3 3889/4885HSD17B1 1263/4885HSD17B2 1589/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 FLT3 3133/4885HSD17B1 1671/4885HSD17B2 1932/4885

“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.