SCHEMBL1786728

SCHEMBL1786728

CCc1ccccc1Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A3 Q01959 3/20 0.49
CYP2D6 P10635 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
GFER P55789 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL29582043 1.00 CHRNA7 (0.53) CHRNA7CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL74169 0.86 SLC6A2 (0.47) SMN1; SMN2LMNASLC6A4SLC6A2SLC6A3
SCHEMBL10407407 0.84 CYP2C9 (0.63) CYP2C9CYP2C19HPGDSMN1; SMN2SLC6A4
SCHEMBL5685713 0.84 SLC6A4 (0.44) CHRNA7CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL13241649 0.84 SLC6A4 (0.68) CYP2C9CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL12462599 0.84 SLC6A4 (0.47) CYP2C9CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL15006840 0.82 HPGD (0.51) CYP2C9CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL9194919 0.81 MGLL (0.50) CHRNA7CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL29581549 0.80 CHRNA7 (0.47) CHRNA7CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL7926650 0.80 CHRNA7 (0.47) CHRNA7CYP2C9CYP2C19HPGDSMN1; 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
EP-2915803-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-07-22 EP disclosed
EP-3536683-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2019-09-11 EP disclosed
US-10301417-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-05-28 US disclosed
EP-2323975-B1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES SI GROUP INC (US) 2019-04-24 EP disclosed
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
EP-3372579-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2018-09-12 EP disclosed
US-9796939-B2 Multi-ring antioxidants with antiwear properties SI GROUP, INC. (US) 2017-10-24 US disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
US-7652150-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIs H. LUNDBECK A/S (DK) 2010-01-26 US disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 US disclosed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 US disclosed
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-07-24 US disclosed
US-20080027074-A1 2-(1H-Indolysulfanyl)-Aryl Amine Derivatives for Use in the Treatment of Affective Disorders, Pain, Adhd and Stress Urinary Incontinence H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
US-4267375-A REFLUXING THIOPHENOL IN BENZENE USING ZINC CHLORIDE AS CATALYST WITH PHENYL-/-OR 2- HYDROXYPHENETHYL SULFIDE S.A. TEXACO BELGIUM N.V. (BE) 1981-05-12 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 (8 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-10301417-B2 Polyisocyanate composition and isocyanate polymer composition PAH, ALKBH1, ALKBH3 CHRNA7 2528/4885CYP2C9 107/4885CYP2C19 507/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B CHRNA7 198/4885CYP2C9 318/4885CYP2C19 70/4885
US-20080027074-A1 2-(1H-Indolysulfanyl)-Aryl Amine Derivatives for Use in the Treatment of Affective Disorders, Pain, Adhd and Stress Urinary Incontinence SLC6A2, HTR2C, SLC6A3 CHRNA7 130/4885CYP2C9 594/4885CYP2C19 352/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CHRNA7 4354/4885CYP2C9 374/4885CYP2C19 1318/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B CHRNA7 198/4885CYP2C9 318/4885CYP2C19 70/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B CHRNA7 164/4885CYP2C9 274/4885CYP2C19 102/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY CHRNA7 4354/4885CYP2C9 374/4885CYP2C19 1318/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 CHRNA7 4311/4885CYP2C9 98/4885CYP2C19 82/4885

“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.