SCHEMBL16571358

SCHEMBL16571358

N#Cc1cc(-c2ccc(F)c(F)c2)c2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 12/20 0.41
▸ SLC22A12 Q96S37 11/20 0.41
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MAP2 P11137 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL16571044 0.90 MPL (0.39) XDHSLC22A12CYP2C8CYP2C9CYP11B2
SCHEMBL16571686 0.90 XDH (0.39) XDHSLC22A12CYP2C8CYP2C9MAP2
SCHEMBL16571862 0.88 XDH (0.35) XDHSLC22A12CYP2C8CYP2C9CYP11B2
SCHEMBL16571739 0.88 XDH (0.40) XDHSLC22A12CYP2C8CYP2C9PARP1
SCHEMBL16571180 0.86 SLC22A12 (0.42) XDHSLC22A12CYP2C9MAP2PARP1
SCHEMBL16571121 0.86 XDH (0.39) XDHSLC22A12CYP2C8CYP2C9BCL9
SCHEMBL16571716 0.85 MAP2 (0.43) XDHSLC22A12MAP2PARP1MET
SCHEMBL16570776 0.85 XDH (0.36) XDHSLC22A12CYP2C8CYP2C9
SCHEMBL19478363 0.84 SCN9A (0.41) XDHSLC22A12MAP2PARP1
SCHEMBL16571057 0.84 PARP1 (0.39) XDHSLC22A12CYP2C8CYP2C9CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP claimed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US claimed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US claimed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO 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-20160185721-A1 INDOLE-CARBOXAMIDES DRD2, HCRTR1, CDR2 XDH 1297/4885SLC22A12 668/4885CYP2C8 3366/4885

“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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