SCHEMBL15577396

SCHEMBL15577396

CC1(C)C(=O)N(COCC[Si](C)(C)C)c2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
BACE1 P56817 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ANPEP P15144 1/20 0.30
PGR P06401 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
SCHEMBL31730690 0.89 DGAT1 (0.35) DGAT1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL31730686 0.88 KMT2A (0.35) DGAT1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL16427447 0.87 DGAT1 (0.37) DGAT1NPC1KMT2APKMMEN1
SCHEMBL31381599 0.87 DGAT1 (0.37) DGAT1NPC1KMT2APKMMEN1
SCHEMBL2144593 0.85 NPC1 (0.32) NPC1TDP1
SCHEMBL31730788 0.84 DGAT1 (0.34) DGAT1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL31730412 0.84 DGAT1 (0.34) DGAT1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL21904215 0.83 CALCRL (0.34) DGAT1PKMBACE1ANPEP
SCHEMBL2265675 0.81 TP53 (0.38) NPC1MAPTALDH1A1KMT2APKM
SCHEMBL2541904 0.81 PKM (0.41) DGAT1MAPTALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105308039-B Indolin-2-one or pyrrolo-pyridine/pyrimid-2-one derivative 豪夫迈·罗氏有限公司 2019-06-28 CN disclosed
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
EP-2895476-B1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2016-06-22 EP disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
CN-105308039-A Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN LA ROCHE 2016-02-03 CN disclosed
US-9221816-B2 2-oxo-2,3-dihydro-indoles for the treatment of CNS disorders HOFFMANN LA-ROCHE INC. (US) 2015-12-29 US disclosed
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE INC. (US) 2015-10-08 US disclosed
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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 (2 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-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HTR2C, OPRD1, DRD3 DGAT1 3063/4885NPC1 1856/4885MAPT 1079/4885
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 DGAT1 3274/4885NPC1 1757/4885MAPT 1224/4885

“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.