SCHEMBL5656772

SCHEMBL5656772

O=C1CSc2ccc(C(=O)CN3CCC(C(=O)O)CC3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.57
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 5/20 0.42
PKM P14618 2/20 0.42
ICAM1 P05362 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5751522 0.83 HTT (0.57) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL5750013 0.82 HTT (0.56) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL5655775 0.80 HTR2A (0.54) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL5657579 0.79 HTT (0.46) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL5659998 0.78 ALDH1A1 (0.59) ALDH1A1LMNANPC1RAB9ATRPV1
SCHEMBL2206858 0.76 ALDH1A1 (0.42) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL9730975 0.75 HTT (0.70) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL2204998 0.75 HTT (0.69) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL619633 0.74 HTT (1.00) HTTALDH1A1LMNAHPGDKMT2A
SCHEMBL30270528 0.74 HTT (1.00) HTTALDH1A1LMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US claimed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US claimed
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS HTT 2984/4885ALDH1A1 3130/4885LMNA 2765/4885

“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.