SCHEMBL3521790

SCHEMBL3521790

O=C(CCC(=O)c1cccc2ccccc12)NC[C@H]1CN(c2ccccc2C2CCNCC2F)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CASR P41180 5/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CHRM1 P11229 2/20 0.33
F10 P00742 3/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
MAOB P27338 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL3524012 0.88 F10 (0.36) ALDH1A1CHRM1F10MAOB
SCHEMBL6823337 0.87 PARP1 (0.35) KDM4EHPGDCHRM1F10CBX7
SCHEMBL3526042 0.87 PARP1 (0.35) KDM4EHPGDCHRM1F10CBX7
SCHEMBL3522663 0.87 TSHR (0.35) ALDH1A1NPC1CHRM1F10MAOB
SCHEMBL3523459 0.85 L3MBTL1 (0.35) ALDH1A1CHRM1F10MAOB
SCHEMBL3525596 0.85 F10 (0.38) NPC1CHRM1F10
SCHEMBL3522293 0.85 F10 (0.41) ALDH1A1HPGDF10MAOB
SCHEMBL3525099 0.84 GRM2 (0.37) ALDH1A1CHRM1
SCHEMBL3524540 0.83 F10 (0.40) F10MAOB
SCHEMBL6822916 0.83 F10 (0.40) F10MAOB

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-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 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-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD ALDH1A1 1995/4885KDM4E 2781/4885CASR 4110/4885

“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.