SCHEMBL3526326

SCHEMBL3526326

O=C(CCC(=O)c1ccc(Cl)cc1)NCC1CN(c2cccc(F)c2N2CCOCC2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.47
MAOB P27338 5/20 0.46
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
MAOA P21397 1/20 0.46
CALML3 P27482 1/20 0.46
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3526323 1.00 F10 (0.47) F10MAOBPTGS1SDHALMNA
SCHEMBL3519820 0.93 MAOB (0.48) F10MAOBPTGS1SDHALMNA
SCHEMBL3519815 0.93 MAOB (0.48) F10MAOBPTGS1SDHALMNA
SCHEMBL3519969 0.92 MAOB (0.48) F10MAOBPTGS1SDHALMNA
SCHEMBL3519964 0.92 MAOB (0.48) F10MAOBPTGS1SDHALMNA
SCHEMBL3526429 0.91 MAOB (0.47) F10MAOBMAOA
SCHEMBL3526434 0.91 MAOB (0.47) F10MAOBMAOA
SCHEMBL3522338 0.90 MAOB (0.44) F10MAOBPTGS1SDHALMNA
SCHEMBL3519113 0.90 MAOB (0.46) F10MAOBPTGS1SDHALMNA
SCHEMBL3519116 0.90 MAOB (0.46) F10MAOBPTGS1SDHALMNA

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 4391/4885MAOB 2127/4885PTGS1 3926/4885

“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.