SCHEMBL7249187

SCHEMBL7249187

NS(=O)(=S)CCCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.53
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 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
SCHEMBL4249546 0.86 HRH1 (0.56) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
Water SCHEMBL27667215 0.79 LMNA (0.57) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1273198 0.79 HRH1 (0.51) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL865443 0.79 LMNA (0.57) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1273199 0.79 LMNA (0.57) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4184428 0.79 HRH1 (0.57) HRH1LMNACYP1A2TDP1ALDH1A1
SCHEMBL28982964 0.78 LMNA (0.55) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28869767 0.78 LMNA (0.55) HRH1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4063300 0.77 HRH1 (0.55) HRH1LMNACYP1A2TDP1ALDH1A1
Potassium SCHEMBL4063307 0.77 HRH1 (0.55) HRH1LMNACYP1A2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 HRH1 608/4885LMNA 2609/4885CYP1A2 380/4885

“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.