SCHEMBL3522293

SCHEMBL3522293

O=C(CCC(=O)c1cccs1)NC[C@H]1CN(c2ccccc2C2CCNCC2F)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3524012 0.88 F10 (0.36) F10MAOBALDH1A1KMT2A
SCHEMBL3523459 0.85 L3MBTL1 (0.35) F10MAOBL3MBTL1ALDH1A1POLB
SCHEMBL3525596 0.85 F10 (0.38) F10
SCHEMBL3521790 0.85 ALDH1A1 (0.35) F10MAOBHPGDALDH1A1
SCHEMBL3526042 0.84 PARP1 (0.35) F10MAOBHPGD
SCHEMBL6823337 0.84 PARP1 (0.35) F10MAOBHPGD
SCHEMBL3525099 0.84 GRM2 (0.37) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3522663 0.84 TSHR (0.35) F10MAOBALDH1A1MEN1MAPT
SCHEMBL3524540 0.83 F10 (0.40) F10MAOBMEN1KMT2A
SCHEMBL6822916 0.83 F10 (0.40) F10MAOBMEN1KMT2A

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 2127/4885HPGD 2285/4885

“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.