SCHEMBL12433147

SCHEMBL12433147

N=C(N)SCc1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.59
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 3/20 0.59
TAAR1 Q96RJ0 2/20 0.59
NOS1 P29475 3/20 0.58
NOS3 P29474 1/20 0.58
NOS2 P35228 1/20 0.58
HPGD P15428 2/20 0.56
SLC11A2 P49281 2/20 0.50
DPP4 P27487 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
STAT6 P42226 1/20 0.49
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.44
HIF1A Q16665 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL3679465 0.89 IDO1 (0.67) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL9406738 0.86 IDO1 (0.49) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL26317230 0.83 NOS1 (0.61) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL2812696 0.82 IDO1 (0.74) IDO1HTTSMN1; SMN2LMNATAAR1
Bromide SCHEMBL2810146 0.81 IDO1 (0.71) IDO1HTTSMN1; SMN2LMNATAAR1
Hydrochloric Acid SCHEMBL22263112 0.81 IDO1 (0.75) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL3684767 0.78 HTT (0.59) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL1316137 0.78 KMT2A (0.59) IDO1LMNADPP4KMT2AALDH1A1
Bromide SCHEMBL4018130 0.76 HTT (0.57) IDO1HTTSMN1; SMN2LMNATAAR1
SCHEMBL15866832 0.76 DPP4 (0.55) SMN1; SMN2LMNAHPGDDPP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 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-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 IDO1 334/4885HTT 373/4885SMN1; SMN2 685/4885

“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.