SCHEMBL3521781

SCHEMBL3521781

O=C(CCC(=O)c1cccc2ccccc12)NC[C@H]1CN(c2cccc(F)c2C2CCNCC2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
USP2 O75604 1/20 0.38
MAOB P27338 4/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOA P21397 2/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 1/20 0.35
SDHA P31040 1/20 0.35
CASR P41180 2/20 0.35
GRM2 Q14416 1/20 0.35
ACKR3 P25106 1/20 0.34
NPC1 O15118 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
HPGD P15428 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
SCHEMBL3521788 1.00 F10 (0.38) F10USP2MAOBALDH1A1KDM4E
SCHEMBL3524011 0.88 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL3524004 0.88 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL3526037 0.87 F10 (0.39) F10MAOBMAOALMNAPTGS1
SCHEMBL3526039 0.87 F10 (0.39) F10MAOBMAOALMNAPTGS1
SCHEMBL3522661 0.85 F10 (0.39) F10MAOBMAOALMNAPTGS1
SCHEMBL3522655 0.85 F10 (0.39) F10MAOBMAOALMNAPTGS1
SCHEMBL3525594 0.84 F10 (0.42) F10MAOBMAOALMNAPTGS1
SCHEMBL3525588 0.84 F10 (0.42) F10MAOBMAOALMNAPTGS1
SCHEMBL3523454 0.84 F10 (0.39) F10MAOBMAOALMNAPTGS1

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 F10 4391/4885USP2 3956/4885MAOB 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.