SCHEMBL26014376

SCHEMBL26014376

Cn1cc(C(C)(C)C)c(C#N)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 5/20 0.38
GLA P06280 2/20 0.38
IMPDH2 P12268 1/20 0.33
CREBBP Q92793 2/20 0.32
HPGD P15428 2/20 0.31
ATAD2 Q6PL18 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM5A P29375 1/20 0.30
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 1/20 0.30
AGTR1 P30556 1/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21361976 0.78 ATAD2 (0.37) KDM4EALDH1A1ATAD2MAPTSMN1; SMN2
SCHEMBL20157278 0.74 KDM4E (0.40) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL17589209 0.73 BRD4 (0.35) KDM4EALDH1A1CREBBPATAD2MAPT
SCHEMBL21721067 0.72 IMPDH2 (0.34) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL24018688 0.72 HDAC6 (0.33) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11402145 0.72 KDM4E (0.41) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL26024529 0.71 KDM4E (0.38) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL24197973 0.71 KDM4E (0.38) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL2153499 0.71 ALDH1A1 (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21259316 0.69 AR (0.36) KDM4EALDH1A1GAAGLAHPGD

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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 KDM4E 4592/4885ALDH1A1 2001/4885GAA 2626/4885

“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.