SCHEMBL20186996

SCHEMBL20186996

CCc1cc(N)cc(C)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
UPP1 Q16831 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL20186988 0.85 KDM4E (0.41) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL524571 0.81 KDM4E (0.54) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL16483020 0.77 KDM4E (0.46) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL24854679 0.77 KDM4E (0.43) KDM4ELMNAALDH1A1MAPTUSP2
SCHEMBL203549 0.75 KDM4E (0.46) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL21241024 0.74 KDM4E (0.45) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL21667290 0.74 KDM4E (0.43) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL27666619 0.74 KDM4E (0.47) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL5158799 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL16883661 0.73 KDM4E (0.41) KDM4ELMNAALDH1A1MAPTHTT

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 4352/4885LMNA 4777/4885ALDH1A1 3042/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 KDM4E 4352/4885LMNA 4777/4885ALDH1A1 3042/4885

“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.