SCHEMBL16160055

SCHEMBL16160055

Cc1ccc(NC(=O)CN(C)C)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ NPY5R Q15761 3/20 0.46
▸ TNKS O95271 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ PARP12 Q9H0J9 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ PARP4 Q9UKK3 1/20 0.45
▸ PARP3 Q9Y6F1 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL13315478 0.83 PKM (0.54) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3800184 0.79 MAPT (0.54) POLBMAPTALDH1A1TAAR1NPY5R
SCHEMBL12139488 0.79 MAPT (0.65) POLBMAPTALDH1A1L3MBTL1TP53
SCHEMBL13315483 0.78 GAA (0.61) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL14311389 0.76 KIF11 (0.51) POLBMAPTALDH1A1GAA
SCHEMBL16980495 0.76 SMN1; SMN2 (0.61) MAPTALDH1A1TAAR1L3MBTL1TP53
SCHEMBL14426565 0.76 NPC1 (0.57) POLBMAPTALDH1A1L3MBTL1TP53
SCHEMBL4299638 0.75 POLB (0.49) POLBMAPTALDH1A1NPY5RTNKS
SCHEMBL16980501 0.75 KDM4E (0.51) POLBMAPTALDH1A1TAAR1NPY5R
SCHEMBL2203490 0.74 SMN1; SMN2 (0.69) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 — — US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — US 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-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 POLB 955/4885MAPT 3346/4885ALDH1A1 728/4885

“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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