SCHEMBL17275671

SCHEMBL17275671

CN1C(=O)C(C)(C)c2ccc(C(=O)CC(=O)c3ccncc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ PLOD2 O00469 4/20 0.44
▸ PLOD3 O60568 4/20 0.44
▸ PLOD1 Q02809 4/20 0.44
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CBX7 O95931 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37

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
SCHEMBL17275693 0.87 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C19KMT2AGAA
SCHEMBL17275762 0.87 KMT2A (0.55) ALDH1A1PLOD2PLOD3PLOD1KMT2A
SCHEMBL17275832 0.85 GAA (0.39) ALDH1A1CYP3A4CYP2C19KMT2AGAA
SCHEMBL17275758 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AGAAMAPT
SCHEMBL17275814 0.82 MEN1 (0.39) ALDH1A1CYP3A4CYP2C19KMT2AGAA
SCHEMBL9205679 0.80 CBX7 (0.41) ALDH1A1HPGDGAAMAPTCBX7
Hydrochloric Acid SCHEMBL17275789 0.79 CBX7 (0.40) ALDH1A1HPGDKMT2AGAAMEN1
SCHEMBL15579146 0.79 GAA (0.50) GAAMAPTKDM4EHTTHSD17B10
SCHEMBL16324386 0.79 TP53 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL20686145 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AGAAMEN1MAPT

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
US-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-20 — — US disclosed
EP-3145923-B1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-01-30 — — EP disclosed
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-17 — — US disclosed
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2018-10-30 — — US disclosed
EP-3145923-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-02 — — US disclosed
WO-2015177110-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 — — 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 (4 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-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A ALDH1A1 437/4885PLOD2 3108/4885PLOD3 4072/4885
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A ALDH1A1 437/4885PLOD2 3108/4885PLOD3 4072/4885
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A ALDH1A1 437/4885PLOD2 3108/4885PLOD3 4072/4885
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A ALDH1A1 437/4885PLOD2 3108/4885PLOD3 4072/4885

“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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