SCHEMBL16160291

SCHEMBL16160291

CC(=O)/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ MAPT P10636 11/20 0.60
▸ MEN1 O00255 10/20 0.60
▸ KMT2A Q03164 10/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ ATM Q13315 1/20 0.53
▸ POLB P06746 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ RECQL P46063 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ALPG P10696 1/20 0.46

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
SCHEMBL10025480 0.76 RAB9A (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL20718001 0.73 MAPT (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16159991 0.67 MAPT (0.50) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20718002 0.67 MAPT (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL27453117 0.65 RAB9A (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL13044100 0.64 RAB9A (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16159990 0.64 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL31712298 0.64 RAB9A (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL12713530 0.64 RAB9A (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL12942446 0.63 KMT2A (0.53) RAB9ANPC1MAPTMEN1KMT2A

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 RAB9A 1624/4885NPC1 3504/4885MAPT 3346/4885

“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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