SCHEMBL20187006

SCHEMBL20187006

CCCc1cc(N)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
AR P10275 6/20 0.39
LMNA P02545 1/20 0.39
PRKCI P41743 1/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.33
MDM4 O15151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33

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
SCHEMBL8690047 0.89 ALDH1A1 (0.46) KDM4EALDH1A1USP2ARLMNA
SCHEMBL1982932 0.85 KDM4E (0.52) KDM4EALDH1A1USP2ARLMNA
SCHEMBL27727044 0.81 KDM4E (0.44) KDM4EALDH1A1USP2LMNAPRKCI
SCHEMBL27727035 0.81 KDM4E (0.44) KDM4EALDH1A1USP2LMNAPRKCI
SCHEMBL31125109 0.81 KDM4E (0.45) KDM4EALDH1A1USP2LMNAPRKCI
SCHEMBL27986031 0.79 CNR1 (0.41) KDM4EALDH1A1USP2ARMAPT
SCHEMBL18179347 0.79 AR (0.43) ALDH1A1ARPDE3BPDE3A
SCHEMBL13570703 0.79 LOXL2 (0.41) KDM4EALDH1A1ARMAPTHPGD
SCHEMBL13570672 0.78 NOS3 (0.47) KDM4EALDH1A1ARLMNAHPGD
SCHEMBL16313509 0.78 AR (0.45) AR

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-10905120-B2 ABA receptor agonists that modulate transpiration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-02 US disclosed
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 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 (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-10905120-B2 ABA receptor agonists that modulate transpiration ADORA2A, ADORA1, AAK1 KDM4E 4352/4885ALDH1A1 3042/4885USP2 1480/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 KDM4E 4352/4885ALDH1A1 3042/4885USP2 1480/4885

“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.