SCHEMBL20187007

SCHEMBL20187007

Cc1cc(N)cc(C2CC2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HTT P42858 1/20 0.35
IKBKB O14920 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL524571 0.78 KDM4E (0.54) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL17236143 0.72 KDM4E (0.41) KDM4EIKBKBALDH1A1HPGDHSD17B10
SCHEMBL6251978 0.72 KDM4E (0.59) KDM4EIKBKBALDH1A1HPGDHSD17B10
SCHEMBL18838082 0.71 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMAPTALOX15
Hydrochloric Acid SCHEMBL17225073 0.71 KDM4E (0.40) KDM4EIKBKBALDH1A1HPGDHSD17B10
SCHEMBL27666619 0.71 KDM4E (0.47) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL16959723 0.70 HTR2C (0.44) IKBKBTSHRPKM
SCHEMBL29739381 0.69 KDM4E (0.46) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL1360896 0.68 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5778419 0.68 MAPKAPK2 (0.40) KDM4EHTTIKBKBALDH1A1HPGD

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 4352/4885HTT 2920/4885IKBKB 3292/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 KDM4E 4352/4885HTT 2920/4885IKBKB 3292/4885

“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.