SCHEMBL17491475

SCHEMBL17491475

O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KCNQ3 O43525 4/20 0.48
▸ KCNQ2 O43526 4/20 0.48
▸ KCNE1 P15382 4/20 0.48
▸ KCNQ1 P51787 4/20 0.48
▸ KCNQ5 Q9NR82 2/20 0.48
▸ RHOC P08134 1/20 0.47
▸ RHOA P61586 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17491467 0.89 KDM4E (0.66) P2RX1KDM4ENPC1PKMALDH1A1
SCHEMBL17491420 0.88 NPC1 (0.65) P2RX1KDM4ENPC1PKMALDH1A1
SCHEMBL17491381 0.87 NPC1 (0.57) KDM4ENPC1PKMALDH1A1LMNA
SCHEMBL17491404 0.85 MEN1 (0.61) P2RX1KDM4ENPC1PKMALDH1A1
SCHEMBL17491499 0.82 P2RX1 (0.53) P2RX1KDM4ENPC1PKMALDH1A1
SCHEMBL17491464 0.82 NPC1 (0.51) KDM4ENPC1PKMALDH1A1LMNA
SCHEMBL17491446 0.82 KDM4E (0.51) KDM4ENPC1PKMALDH1A1LMNA
SCHEMBL17491482 0.81 CES1 (0.47) P2RX1KDM4ENPC1PKMALDH1A1
SCHEMBL23336404 0.81 P2RX1 (0.76) P2RX1ALDH1A1LMNARXFP1KCNQ3
SCHEMBL17491421 0.81 KDM4E (0.50) KDM4ENPC1PKMALDH1A1LMNA

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 7 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-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US 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
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 P2RX1 685/4885KDM4E 764/4885NPC1 498/4885

“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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