SCHEMBL3525099

SCHEMBL3525099

COc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccccc3C3CCNCC3F)C(=O)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRM1 P11229 1/20 0.35
MMP1 P03956 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3B P49841 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 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
SCHEMBL3523459 0.92 L3MBTL1 (0.35) GRM2ALDH1A1LMNAL3MBTL1CHRM1
SCHEMBL3524012 0.92 F10 (0.36) ALDH1A1LMNACHRM1KMT2AHTT
SCHEMBL3525596 0.90 F10 (0.38) GRM2CHRM1RAB9A
SCHEMBL6822916 0.89 F10 (0.40) LMNAKMT2AMEN1
SCHEMBL3524540 0.89 F10 (0.40) LMNAKMT2AMEN1
SCHEMBL6823337 0.89 PARP1 (0.35) CHRM1HTR1APARP1
SCHEMBL3526042 0.89 PARP1 (0.35) CHRM1HTR1APARP1
SCHEMBL3522663 0.85 TSHR (0.35) ALDH1A1LMNACHRM1KMT2AMEN1
SCHEMBL3522293 0.84 F10 (0.41) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL3521790 0.84 ALDH1A1 (0.35) ALDH1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US claimed
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 GRM2 4031/4885ALDH1A1 1995/4885LMNA 3191/4885

“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.