SCHEMBL5748824

SCHEMBL5748824

O=C1CSc2cc(F)c(C(=O)CCl)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL3063917 0.82 HTT (0.57) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL3077002 0.77 KMT2A (0.49) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL2204998 0.76 HTT (0.69) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL3069824 0.75 MAOB (0.49) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL259590 0.74 SMYD3 (0.46) MAOBALDH1A1EPHX2MAPT
SCHEMBL7451837 0.74 MAOA (0.47) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL30954132 0.74 MAOA (0.47) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL4179726 0.74 ALDH1A1 (0.60) ALDH1A1MAPTPKM
SCHEMBL9562601 0.73 PKM (0.41) ALDH1A1MAPTPKM
SCHEMBL14341235 0.71 EPHX2 (0.56) HTTMAOAMAOBALDH1A1LMNA

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
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 HTT 4369/4885MAOA 2378/4885MAOB 3007/4885

“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.