SCHEMBL10193069

SCHEMBL10193069

Bc1ccc2sc(CCNO)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.46
LOXL2 Q9Y4K0 1/20 0.39
TRPV1 Q8NER1 4/20 0.37
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL10193068 0.83 HDAC6 (0.46) HDAC6LOXL2TRPV1ALOX15HTT
SCHEMBL13539291 0.66 PIK3CA (0.54) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL10254309 0.66 ALDH1A1 (0.57) TRPV1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL489036 0.64 TRPV1 (0.48) HDAC6LOXL2TRPV1ALOX15HTT
SCHEMBL10268888 0.63 MAPT (0.45) HDAC6LOXL2TRPV1ALOX15HTT
SCHEMBL19058424 0.63 HDAC6 (1.00) HDAC6TRPV1
SCHEMBL23874614 0.62 RAB9A (0.41) SMN1; SMN2RAB9ANPC1GAAMAPK1
SCHEMBL14327114 0.62 SMN1; SMN2 (0.65) ALOX15SMN1; SMN2GAAHPGD
SCHEMBL7435843 0.61 UBE2T (0.56) ALOX15HTTSMN1; SMN2RAB9ANPC1
SCHEMBL9763984 0.61 HDAC6 (0.43) HDAC6LOXL2ALOX15HTTSMN1; SMN2

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-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-11-25 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 (2 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-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 HDAC6 1276/4885LOXL2 1889/4885TRPV1 226/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 HDAC6 1276/4885LOXL2 1889/4885TRPV1 226/4885

“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.