SCHEMBL3209550

SCHEMBL3209550

O=C(c1cccc(C(F)(F)F)c1)c1cc2c(Br)cccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.48
CES2 O00748 2/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
VNN1 O95497 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1852042 0.92 SRD5A2 (0.41) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL5034819 0.80 FLT3 (0.52) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL11673544 0.80 NPC1 (0.66) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL1850138 0.80 SRD5A2 (0.48) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL3210257 0.79 SRD5A2 (0.45) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL3215728 0.79 NPC1 (0.45) CES2MEN1KMT2AMAPTALDH1A1
SCHEMBL1851647 0.78 MEN1 (0.47) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL3210023 0.76 NPC1 (0.42) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1237189 0.73 SRD5A2 (0.79) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL1851902 0.73 MCL1 (0.44) MEN1KMT2AMAPTALDH1A1CYP1A2

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
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 SRD5A2 682/4885CES2 1626/4885MEN1 4760/4885

“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.