SCHEMBL942

SCHEMBL942

Cc1ccc(-c2c(C#N)cccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
AR P10275 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 4/20 0.41
PDE9A O76083 2/20 0.41
PDE1C Q14123 1/20 0.41
MAOB P27338 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERBB2 P04626 1/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ESR2 Q92731 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL10536003 0.91 ALDH1A1 (0.46) TSHRALDH1A1ARCYP2A6MAOA
SCHEMBL7636229 0.87 GRIA1 (0.52) TSHRALDH1A1ARCYP2A6MAOA
SCHEMBL8566940 0.84 AR (0.51) ARSMN1; SMN2GAA
SCHEMBL18411452 0.79 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL18406714 0.79 AR (0.54) TSHRALDH1A1ARSMN1; SMN2HPGD
SCHEMBL17051410 0.79 ALDH1A1 (0.52) ALDH1A1ARCYP2A6MAOAPDE9A
SCHEMBL20609123 0.78 LMNA (0.47) TSHRALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL27963955 0.77 ESR2 (0.66) TSHRALDH1A1ARCYP2A6HPGD
SCHEMBL29799042 0.77 ESR2 (0.66) TSHRALDH1A1ARCYP2A6HPGD
SCHEMBL17955178 0.77 ESR2 (0.37) TSHRALDH1A1ARKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200194681-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2020-06-18 US disclosed
US-10615348-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-07 US disclosed
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 US disclosed
US-10043983-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-07 US disclosed
US-20170141323-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-05-18 US disclosed
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-26 US disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
US-6962999-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2005-11-08 US disclosed
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM I.P. ASSETS B.V. (NL) 2005-06-09 US disclosed
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-05-29 US disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0470795-B1 Process for the manufacture of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0470794-B1 Process for the preparation of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0470794-A1 Process for the preparation of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP 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 (5 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-10043983-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE1, CRY2 TSHR 3796/4885ALDH1A1 2084/4885AR 3051/4885
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 TSHR 3246/4885ALDH1A1 1544/4885AR 107/4885
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE1, CRY2 TSHR 3796/4885ALDH1A1 2084/4885AR 3051/4885
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT TSHR 2211/4885ALDH1A1 3227/4885AR 810/4885
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT TSHR 2211/4885ALDH1A1 3227/4885AR 810/4885

“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.