SCHEMBL17491447

SCHEMBL17491447

COc1ccc(C(=O)Nc2cc(-c3cnco3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.51
▸ ABL1 P00519 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ P2RX1 P51575 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 0.86 KDM4E (0.66) IMPDH2RXFP1KDM4ENPC1PKM
SCHEMBL17491420 0.86 NPC1 (0.65) IMPDH2RXFP1KDM4ENPC1PKM
SCHEMBL17491404 0.81 MEN1 (0.61) RXFP1KDM4ENPC1PKMRAB9A
SCHEMBL17491415 0.80 BRAF (0.47) IMPDH2KDM4ENPC1PKMRAB9A
SCHEMBL17491475 0.80 P2RX1 (0.51) RXFP1KDM4ENPC1PKMRAB9A
SCHEMBL17491395 0.79 SMN1; SMN2 (0.52) IMPDH2SMN1; SMN2MEN1GAACYP2C19
SCHEMBL17491518 0.77 AAK1 (0.46) IMPDH2SMN1; SMN2
SCHEMBL17491482 0.77 CES1 (0.47) KDM4ENPC1PKMRAB9AALDH1A1
SCHEMBL17491537 0.76 TRPA1 (0.60) IMPDH2ABL1RXFP1KDM4ENPC1
SCHEMBL17491412 0.76 P2RX1 (0.45) IMPDH2RXFP1KDM4ENPC1RAB9A

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 IMPDH2 1603/4885ABL1 4805/4885RXFP1 3125/4885

“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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