SCHEMBL1851902

SCHEMBL1851902

O=C(c1cc(F)cc(Cl)c1)c1cc2c(Br)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
NPC1 O15118 6/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 3/20 0.36
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
EYA3 Q99504 2/20 0.34
TTR P02766 2/20 0.34
CYP2C9 P11712 2/20 0.34
EYA2 O00167 1/20 0.34
ABCC4 O15439 1/20 0.34
PLIN1 O60240 1/20 0.34
NR1I2 O75469 1/20 0.34

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 0.82 NPC1 (0.42) MCL1NPC1TSHRMAPK1RAB9A
SCHEMBL3215728 0.81 NPC1 (0.45) MCL1NPC1TSHRMAPK1RAB9A
SCHEMBL5034819 0.79 FLT3 (0.52) MCL1NPC1TSHRMAPK1RAB9A
SCHEMBL3209550 0.73 SRD5A2 (0.48) NPC1TSHRMAPK1RAB9AMEN1
SCHEMBL3219661 0.73 CYP11B1 (0.35) MCL1TSHRMAPK1ALDH1A1HPGD
SCHEMBL1893419 0.72 MCL1 (0.58) MCL1NPC1TSHRRAB9AMEN1
SCHEMBL21951007 0.70 KDM4E (0.54) MCL1NPC1TSHRRAB9AMEN1
SCHEMBL1852042 0.68 SRD5A2 (0.41) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL29144469 0.67 KDM4E (0.48) NPC1TSHRRAB9AMEN1KMT2A
SCHEMBL28723978 0.67 CNR2 (0.58) MEN1KMT2AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
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 MCL1 3057/4885NPC1 2479/4885TSHR 240/4885

“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.