SCHEMBL3785577

SCHEMBL3785577

COc1ccc(N)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
BACE1 P56817 2/20 0.50
PIN1 Q13526 1/20 0.50
PTPN1 P18031 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP2E1 P05181 1/20 0.46

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
SCHEMBL29492486 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4BACE1PIN1PTPN1
Hydrochloric Acid SCHEMBL654303 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4BACE1PIN1PTPN1
SCHEMBL28255761 0.87 TDO2 (0.55) ALDH1A1CYP3A4BACE1HSD17B10KDM4E
SCHEMBL3789140 0.85 TDP1 (0.56) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL3789462 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4BACE1PIN1PTPN1
SCHEMBL5014862 0.84 ALDH1A1 (0.52) ALDH1A1BACE1HSD17B10SMN1; SMN2KMT2A
SCHEMBL3790187 0.84 CYP3A4 (0.58) ALDH1A1CYP3A4HPGDSMN1; SMN2KMT2A
SCHEMBL11004268 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4BACE1KDM4EHPGD
SCHEMBL30206743 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4BACE1KDM4EHPGD
SCHEMBL30206740 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4BACE1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112774731-A Para-methoxy substituted palladium catalyst and application thereof in Heck reaction 邹育英 2021-05-11 CN claimed
CN-117510368-A Imidamine complex, double-matched iminamine nickel complex, preparation method, nickel-based catalyst and application 中国石油天然气股份有限公司 2024-02-06 CN disclosed
CN-112898352-B Asymmetric palladium complex, preparation method and application thereof in catalyzing olefin polymerization 中山大学 2022-03-22 CN disclosed
CN-112898352-A Asymmetric palladium complex, preparation method and application thereof in catalyzing olefin polymerization 中山大学 2021-06-04 CN disclosed
CN-112774731-A Para-methoxy substituted palladium catalyst and application thereof in Heck reaction 邹育英 2021-05-11 CN disclosed
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US disclosed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP disclosed
CN-103819345-B A kind of preparation method of 2-aminobiphenyl derivate WUXI GREEN SEPARATION TECHNOLOGY INSTITUTE CO., LTD. (CN) 2015-08-05 CN disclosed
CN-103819345-A Method for preparing 2-amino biphenyl derivative WUXI GREEN SEPARATION TECHNOLOGY INST CO LTD 2014-05-28 CN disclosed
EP-1558591-B1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS UNIV CALIFORNIA (US) 2014-05-07 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO., LTD. (JP) 2006-07-13 US disclosed
EP-1650208-A1 WHITE-EMITTING COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND WHITE-EMITTING DEVICES HIROSE ENGINEERING CO., LTD. (JP) 2006-04-26 EP disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
CN-1028521-C Therapeutic agents BOOTS CO PLC (GB) 1995-05-24 CN disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
CN-1072173-A Therapeutical agent BOOTS CO PLC (GB) 1993-05-19 CN disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 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-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices IWS1, WNT1, CYP1A1 ALDH1A1 39/4885CYP3A4 42/4885BACE1 141/4885
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY FLNA, FLNB, BRI3BP ALDH1A1 2624/4885CYP3A4 1343/4885BACE1 3967/4885

“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.