SCHEMBL3215728

SCHEMBL3215728

O=C(c1ccc(F)c(F)c1)c1cc2c(Br)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
STK17B O94768 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL3210023 0.88 NPC1 (0.42) NPC1TSHRMAPK1STK17BMAPT
SCHEMBL5034819 0.82 FLT3 (0.52) NPC1TSHRMAPK1MAPTRAB9A
SCHEMBL1851902 0.81 MCL1 (0.44) NPC1TSHRMAPK1STK17BMAPT
SCHEMBL3209550 0.79 SRD5A2 (0.48) NPC1TSHRMAPK1MAPTRAB9A
SCHEMBL3209928 0.78 NPC1 (0.45) NPC1TSHRMAPK1STK17BMAPT
SCHEMBL1893419 0.75 MCL1 (0.58) NPC1TSHRMAPTRAB9AALDH1A1
SCHEMBL21951007 0.73 KDM4E (0.54) NPC1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL1852042 0.73 SRD5A2 (0.41) MAPTALDH1A1HPGDCES2MEN1
SCHEMBL1850465 0.70 CYP11B1 (0.37) TSHRMAPK1CYP2C19
SCHEMBL26998275 0.70 CES2 (0.50) NPC1TSHRMAPK1MAPTRAB9A

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
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO 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 NPC1 2479/4885TSHR 240/4885MAPK1 1040/4885

“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.