SCHEMBL5221782

SCHEMBL5221782

COc1ccc(C#N)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
AR P10275 3/20 0.47
TUBB1 Q9H4B7 1/20 0.43
PRKDC P78527 1/20 0.42
DYRK1A Q13627 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ERN1 O75460 2/20 0.41
KDM1A O60341 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SLC6A4 P31645 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40

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
SCHEMBL29950818 1.00 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL4600422 0.87 ERN1 (0.50) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29955071 0.86 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL1398327 0.86 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL5621128 0.83 ACLY (0.50) ALDH1A1TSHRKDM4ELMNAERN1
SCHEMBL8327036 0.83 CYP1A2 (0.40) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL4600063 0.83 AR (0.43) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL26383587 0.82 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL9699306 0.82 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL16955355 0.82 AR (0.47) ALDH1A1KDM4EARDYRK1AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126771-A1 PROCESS FOR PREPARING (Z)-3-(2-(5-BROMO-1H-INDOL-3-YL)-2-CYANOVINYL)-4-METHOXYBENZONITRILE EVEXTA BIO (FR) 2024-06-20 WO claimed
EP-4629988-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS Centre National de la Recherche Scientifique (FR) 2025-10-15 EP disclosed
CN-120112512-A Process for the preparation of (Z) -3- (2- (5-bromo-1H-indol-3-yl) -2-cyanovinyl) -4-methoxybenzonitrile 埃维克斯塔生物公司 2025-06-06 CN disclosed
WO-2024126771-A1 PROCESS FOR PREPARING (Z)-3-(2-(5-BROMO-1H-INDOL-3-YL)-2-CYANOVINYL)-4-METHOXYBENZONITRILE EVEXTA BIO (FR) 2024-06-20 WO disclosed
WO-2024126771-A1 PROCESS FOR PREPARING (Z)-3-(2-(5-BROMO-1H-INDOL-3-YL)-2-CYANOVINYL)-4-METHOXYBENZONITRILE EVEXTA BIO (FR) 2024-06-20 WO disclosed
WO-2024126771-A1 PROCESS FOR PREPARING (Z)-3-(2-(5-BROMO-1H-INDOL-3-YL)-2-CYANOVINYL)-4-METHOXYBENZONITRILE EVEXTA BIO (FR) 2024-06-20 WO disclosed
WO-2024121072-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-06-13 WO disclosed
CN-108341799-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2022-01-25 CN disclosed
CN-113248448-A 2-arylamine-4-amino quinazoline compound, preparation method and application thereof 江苏正大丰海制药有限公司 2021-08-13 CN disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-20040082547-A1 Novel compounds that inhibit factor xa activity MORPHOCHEM (DE) 2004-04-29 US disclosed
US-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI (FR) 2004-01-15 US disclosed
EP-1370526-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2003-12-17 EP disclosed
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002068390-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2002-09-06 WO disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 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 (3 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-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same ABAT, TNNT2, BCAT1 ALDH1A1 129/4885TSHR 4555/4885KDM4E 947/4885
US-20040082547-A1 Novel compounds that inhibit factor xa activity F11, TFPI, SERPINC1 ALDH1A1 1604/4885TSHR 2698/4885KDM4E 3433/4885
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 ALDH1A1 2533/4885TSHR 4322/4885KDM4E 1237/4885

“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.