SCHEMBL16159934

SCHEMBL16159934

CC(=O)C(Cc1cccn1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.38
HSD11B1 P28845 3/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL12382346 0.74 MEN1 (0.47) RAB9AALDH1A1SMN1; SMN2CYP2C19MEN1
Water SCHEMBL28190270 0.72 MEN1 (0.46) RAB9AALDH1A1SMN1; SMN2CYP2C19MEN1
SCHEMBL8001508 0.71 SLC7A5 (0.50) RAB9AALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL8001504 0.71 SLC7A5 (0.50) RAB9AALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL10667564 0.71 MEN1 (0.45) ALDH1A1CYP2C19MEN1KMT2AMAPT
SCHEMBL14828743 0.71 ALDH1A1 (0.53) RAB9AALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL19647227 0.69 ALPI (0.52) RAB9ACYP1A2NPC1LMNA
SCHEMBL12768183 0.69 ALPI (0.52) RAB9ACYP1A2NPC1LMNA
SCHEMBL11446310 0.69 MEN1 (0.44) RAB9AALDH1A1SMN1; SMN2CYP2C19MEN1
Acetic Acid SCHEMBL30330510 0.69 RAB9A (0.49) RAB9AALDH1A1SMN1; SMN2RECQLCYP1A2

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 1624/4885ALDH1A1 728/4885SMN1; SMN2 4613/4885

“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.