SCHEMBL17491410

SCHEMBL17491410

FC(F)(F)c1cc(Br)c2c(c1)NCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.37
▸ PARP10 Q53GL7 4/20 0.35
▸ PARP1 P09874 3/20 0.35
▸ ADRB1 P08588 1/20 0.33
▸ PARP11 Q9NR21 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AR P10275 2/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL29521546 0.80 PARP10 (0.38) S1PR1PARP10PARP1ADRB1PARP11
SCHEMBL19411016 0.80 PARP10 (0.38) S1PR1PARP10PARP1ADRB1PARP11
SCHEMBL26431777 0.76 ALDH1A1 (0.34) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL31161303 0.73 NOTUM (0.42) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL31161619 0.72 ALDH1A1 (0.34) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL28212644 0.72 ALDH1A1 (0.34) PARP10PARP11ALDH1A1MAPTNOTUM
SCHEMBL17491542 0.71 AR (0.40) S1PR1ADRB1ALDH1A1MAPTAR
SCHEMBL30550497 0.69 ALDH1A1 (0.37) PARP10ADRB1PARP11ALDH1A1MAPT
SCHEMBL1735429 0.67 PARP10 (0.60) S1PR1PARP10PARP1PARP11AR
SCHEMBL30038782 0.67 PARP10 (0.60) S1PR1PARP10PARP1PARP11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 S1PR1 2645/4885PARP10 3557/4885PARP1 2841/4885

“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.

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