SCHEMBL19961308

SCHEMBL19961308

O=C(Cc1ccccc1)N1CCC(c2ccccn2)C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
POLB P06746 1/20 0.67
TACR3 P29371 1/20 0.56
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
HSD11B1 P28845 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 3/20 0.52
SPR P35270 1/20 0.52
USP30 Q70CQ3 1/20 0.51
KDM5A P29375 1/20 0.50
MAP3K12 Q12852 1/20 0.50
KDM6B O15054 2/20 0.49
KDM5C P41229 2/20 0.49
KDM4C Q9H3R0 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49

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
SCHEMBL19961320 0.86 ALDH1A1 (0.63) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL2806341 0.84 HSD11B1 (0.60) ALDH1A1POLBRAB9AHSD11B1SPR
SCHEMBL19961370 0.83 ALDH1A1 (0.58) ALDH1A1POLBHSD11B1KDM4ESPR
SCHEMBL19404912 0.81 GRIN2B (0.58) RAB9AHSD11B1SPRUSP30
SCHEMBL2134171 0.81 ALDH1A1 (1.00) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL15755587 0.80 HPGD (0.65) ALDH1A1LMNARAB9AL3MBTL1KDM4E
SCHEMBL29640084 0.80 HSD11B1 (0.59) POLBHSD11B1SPRUSP30KDM5A
SCHEMBL19961319 0.79 ALDH1A1 (0.63) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL4074303 0.78 HSD11B1 (0.53) HSD11B1SPRUSP30KDM5A
SCHEMBL19961306 0.78 RAB9A (0.69) ALDH1A1POLBLMNARAB9AHSD11B1

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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NOVALEX THERAPEUTICS INC (US) 2018-03-15 US disclosed
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.