SCHEMBL3522784

SCHEMBL3522784

Cc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNC3)C(=O)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MAOA P21397 5/20 0.35
MAOB P27338 4/20 0.35
PTGS1 P23219 2/20 0.35
SDHA P31040 2/20 0.35
LMNA P02545 1/20 0.35
CALML3 P27482 1/20 0.35
F10 P00742 3/20 0.35
GRM2 Q14416 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACKR3 P25106 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
SCHEMBL3522781 1.00 PKM (0.37) PKMMAOAMAOBPTGS1SDHA
SCHEMBL3523457 0.95 F10 (0.39) PKMMAOAMAOBPTGS1SDHA
SCHEMBL3523454 0.95 F10 (0.39) PKMMAOAMAOBPTGS1SDHA
SCHEMBL3519198 0.93 F10 (0.36) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3519194 0.93 F10 (0.36) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3522909 0.92 ACKR3 (0.38) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3522915 0.92 ACKR3 (0.38) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3523307 0.91 F10 (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3523306 0.91 F10 (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3522007 0.90 MAOB (0.33) MAOAMAOBPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 226/4885MAOA 2058/4885MAOB 2127/4885

“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.