SCHEMBL19954263

SCHEMBL19954263

CCC(CC)NCc1cccc(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 11/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
F10 P00742 1/20 0.47
IDH1 O75874 1/20 0.45
PARP1 P09874 2/20 0.45
VNN1 O95497 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL19091172 0.87 MEP1B (0.53) MEP1BKDM1AMAOAMAOBF10
SCHEMBL19954228 0.86 MEP1B (0.63) MEP1BALDH1A1KMT2AL3MBTL1FOLH1
SCHEMBL14558488 0.84 MEP1B (0.54) MEP1BKDM1AMAOAMAOBF10
SCHEMBL19954255 0.84 LOXL2 (0.59) MEP1BALDH1A1KMT2AFOLH1
SCHEMBL19954186 0.81 MEP1B (0.48) MEP1BALDH1A1KDM1AMAOAMAOB
SCHEMBL20987986 0.81 EPHX2 (0.49) ALDH1A1KMT2AL3MBTL1KDM1AMAOA
SCHEMBL2570385 0.79 NOS1 (0.54) MEP1BKDM1AMAOAMAOBF10
SCHEMBL10295479 0.78 F2 (0.44) MEP1BF10IDH1PARP1FOLH1
SCHEMBL15061150 0.78 FNTA (0.52) MEP1BKMT2AKDM1AMAOAMAOB
SCHEMBL5005534 0.78 MEP1B (0.52) MEP1BKMT2AKDM1AMAOAMAOB

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MEP1B 286/4885ALDH1A1 4446/4885KMT2A 2653/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MEP1B 286/4885ALDH1A1 4446/4885KMT2A 2653/4885

“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.