SCHEMBL3525596

SCHEMBL3525596

O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H]1CN(c2ccccc2C2CCNCC2F)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
CCR2 P41597 2/20 0.35
ABCB11 O95342 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
CHRM1 P11229 1/20 0.33
CETP P11597 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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 0.94 F10 (0.36) F10CCR2ITGB3ITGA2BCHRM1
SCHEMBL3523459 0.92 L3MBTL1 (0.35) F10TSHRGRM2ITGB3ITGA2B
SCHEMBL3525099 0.90 GRM2 (0.37) RAB9AGRM2CHRM1
SCHEMBL3524540 0.90 F10 (0.40) F10ABCB11ITGB3ITGA2B
SCHEMBL6822916 0.90 F10 (0.40) F10ABCB11ITGB3ITGA2B
SCHEMBL6823337 0.89 PARP1 (0.35) F10SMN1; SMN2CHRM1CETP
SCHEMBL3526042 0.89 PARP1 (0.35) F10SMN1; SMN2CHRM1CETP
SCHEMBL3522663 0.86 TSHR (0.35) F10NPC1TSHRRAB9ACHRM1
SCHEMBL3521790 0.85 ALDH1A1 (0.35) F10NPC1CHRM1
SCHEMBL3522293 0.85 F10 (0.41) F10

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 F10 4391/4885CCR2 3938/4885ABCB11 2306/4885

“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.