SCHEMBL10176182

SCHEMBL10176182

C=C(c1cccc(-c2cc3cc(F)ccc3[nH]2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.54
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CYP1A1 P04798 2/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDPK1 O15530 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ITK Q08881 2/20 0.42
F2 P00734 2/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 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
SCHEMBL13814197 0.90 NPC1 (0.54) FLT3NPC1RAB9AHPGDKDM4E
SCHEMBL13814194 0.86 FLT3 (0.68) FLT3NPC1RAB9ALMNAHPGD
SCHEMBL29068707 0.81 KDM4E (0.59) FLT3NPC1RAB9ALMNAHPGD
SCHEMBL30549460 0.81 KDM4E (0.59) FLT3NPC1RAB9ALMNAHPGD
SCHEMBL10176252 0.80 KDM4E (0.50) FLT3NPC1RAB9ALMNAHPGD
SCHEMBL10176209 0.76 TUBB4A (0.47) NPC1RAB9ACYP1A1HPGDKDM4E
SCHEMBL10176247 0.76 FLT3 (0.44) FLT3HPGDKDM4EALDH1A1HSD17B10
SCHEMBL10176214 0.76 NPC1 (0.53) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL10176195 0.76 NPC1 (0.49) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL29804758 0.75 NPC1 (0.67) NPC1RAB9ACYP1A1LMNAHPGD

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 3889/4885NPC1 3214/4885RAB9A 2378/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 FLT3 3133/4885NPC1 1555/4885RAB9A 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.