SCHEMBL19961320

SCHEMBL19961320

O=C(Cc1ccccc1)N1CCC(c2ccncn2)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
POLB P06746 1/20 0.63
TACR3 P29371 1/20 0.53
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM5A P29375 1/20 0.49
MAP3K12 Q12852 1/20 0.48
KDM4E B2RXH2 3/20 0.47
KDM6B O15054 3/20 0.47
KDM5C P41229 3/20 0.47
KDM4C Q9H3R0 3/20 0.47
KDM2A Q9Y2K7 3/20 0.47
KDM3A Q9Y4C1 3/20 0.47
CCR5 P51681 1/20 0.44
KDM4A O75164 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL19961308 0.86 ALDH1A1 (0.67) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL19961309 0.79 RAB9A (0.65) ALDH1A1POLBLMNARAB9AKDM5A
SCHEMBL19961310 0.78 PARP1 (0.44) ALDH1A1POLBTACR3L3MBTL1KDM4E
SCHEMBL2134171 0.78 ALDH1A1 (1.00) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL19961319 0.76 ALDH1A1 (0.63) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL1739264 0.73 KDM5A (0.46) KDM5A
SCHEMBL19658655 0.72 MAPK11 (0.53) ALDH1A1POLBKDM5AKDM4E
SCHEMBL1828872 0.72 ALDH1A1 (0.68) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL12489580 0.72 ALDH1A1 (0.68) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL16973965 0.72 ALDH1A1 (0.68) ALDH1A1POLBTACR3LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NOVALEX THERAPEUTICS INC (US) 2018-03-15 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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY FAR1, TECR, ECI1 ALDH1A1 1739/4885POLB 1742/4885TACR3 3503/4885

“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.