SCHEMBL4381193

SCHEMBL4381193

c1ccc2c(-c3csc4ccccc34)csc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
MAPT P10636 1/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
ERN1 O75460 2/20 0.47
GPR3 P46089 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL5848721 0.85 CYP2A6 (0.52) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL31092063 0.85 CYP2A6 (0.52) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL23555986 0.85 ERN1 (0.54) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL20174709 0.85 CYP2A6 (0.42) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL9729982 0.85 CYP2A6 (0.42) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL14451018 0.85 CYP2A6 (0.47) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL398176 0.85 ALDH1A1 (0.52) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL9787033 0.85 CNR2 (0.49) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL13319555 0.83 ERN1 (0.42) CYP2A6MAPTCHRM2CHRM4CHRM5
SCHEMBL13408716 0.83 ERN1 (0.42) CYP2A6MAPTCHRM2CHRM4CHRM5

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015177763-A9 ELECTRO-ACTIVE MACROCYCLIC OLIGOARENES AND OLIGOHETEROARENES WITH STEREOGENIC AXES UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2016-01-21 WO claimed
WO-2015177763-A1 ELECTRO-ACTIVE MACROCYCLIC OLIGOARENES AND OLIGOHETEROARENES WITH STEREOGENIC AXES UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-11-26 WO claimed
US-6077958-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-06-20 US claimed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP claimed
US-5907045-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 1999-05-25 US claimed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP claimed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO claimed
US-10749117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-6297387-B1 AND THEIR USE AS CHIRAL CATALYSTS IN STEREOCONTROLLED REACTIONS, SUCH AS DIASTEREO- AND ENANTIOSELECTIVE REDUCTION REACTIONS, ITALFARMACO SUD S.P.A. (IT) 2001-10-02 US disclosed
US-6133191-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-10-17 US disclosed
US-6077958-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-06-20 US disclosed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP disclosed
US-5907045-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 1999-05-25 US disclosed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP disclosed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO 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-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, CYP2C19, SDHB CYP2A6 241/4885MAPT 2005/4885CHRM2 924/4885
US-10749117-B2 Materials for electronic devices EFNA1, CYP2C19, SDHB CYP2A6 241/4885MAPT 2005/4885CHRM2 924/4885

“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.