SCHEMBL16159964

SCHEMBL16159964

CC(=O)/C(=C/c1cc(-c2cccs2)cs1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 8/20 0.41
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC3 O15379 5/20 0.41
▸ ERN1 O75460 2/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL16160014 0.79 MAPT (0.48) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL16159958 0.75 CES2 (0.40) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL6193544 0.71 DPP4 (0.53) HDAC2ERN1
SCHEMBL21654340 0.71 KCNH2 (0.38) HDAC2HDAC1HDAC3ERN1ALDH1A1
SCHEMBL4878144 0.67 HCAR2 (0.47) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL4878146 0.67 HCAR2 (0.47) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL4878154 0.67 HCAR2 (0.47) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL7266721 0.67 HDAC1 (0.40) HDAC2HDAC1HDAC3ERN1NPC1
SCHEMBL27605039 0.66 ALDH1A1 (0.49) HDAC2HDAC1HDAC3ERN1PTPN1
Acetic Acid SCHEMBL27477993 0.65 KDM4E (0.52) HDAC2HDAC1HDAC3PTPN1KDM4E

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 HDAC2 1233/4885HDAC1 1574/4885HDAC3 2117/4885

“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.

Send feedback