SCHEMBL21017828

SCHEMBL21017828

CCCCC(C)(CCC)C(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.49
EPHX1 P07099 1/20 0.38
GLA P06280 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 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
SCHEMBL24401517 0.97 DNM1 (0.51) DNM1EPHX1GLATHRATHRB
SCHEMBL24926365 0.92 DNM1 (0.55) DNM1EPHX1THRATHRBCNR1
SCHEMBL22317611 0.90 DNM1 (0.49) DNM1EPHX1GLATHRATHRB
SCHEMBL20243888 0.90 DNM1 (0.57) DNM1EPHX1THRATHRBCNR1
SCHEMBL21017854 0.87 DNM1 (0.44) DNM1EPHX1GLACA1CA2
SCHEMBL21017178 0.84 DNM1 (0.54) DNM1EPHX1THRATHRBCNR1
SCHEMBL22317342 0.83 DNM1 (0.51) DNM1EPHX1GLATHRATHRB
SCHEMBL25096996 0.79 FAAH (0.39) EPHX1CNR1ALDH1A1
SCHEMBL22317517 0.79 DNM1 (0.54) DNM1EPHX1GLATHRATHRB
SCHEMBL2874926 0.78 DNM1 (0.43) DNM1CA1CA2CA12CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 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 (3 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 DNM1 1376/4885EPHX1 4783/4885GLA 1957/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 DNM1 1376/4885EPHX1 4783/4885GLA 1957/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC DNM1 1356/4885EPHX1 3661/4885GLA 4781/4885

“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.