SCHEMBL1307459

SCHEMBL1307459

N#Cc1ccc2c(C=O)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
IMPDH2 P12268 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51

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
SCHEMBL29593629 1.00 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL2535253 0.87 GABRP (0.60) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL30665978 0.87 GABRP (0.60) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL4352262 0.80 TDO2 (0.63) ALDH1A1KDM4EMAPTIDO1CYP1A2
SCHEMBL4352266 0.80 TDO2 (0.63) ALDH1A1KDM4EMAPTIDO1CYP1A2
SCHEMBL2557797 0.78 GABRP (0.53) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL2536845 0.78 FBP1 (0.50) CYP2A6ALDH1A1MAPTGABRPGABRD
SCHEMBL2536847 0.78 FBP1 (0.50) CYP2A6ALDH1A1MAPTGABRPGABRD
SCHEMBL30487726 0.78 FBP1 (0.50) CYP2A6ALDH1A1MAPTGABRPGABRD
SCHEMBL29935657 0.77 PIM3 (0.65) CYP2A6ALDH1A1KDM4EMAPTIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087365-A1 METTL3 INHIBITOR 杭州邦顺制药有限公司 2025-05-01 WO disclosed
CN-119899188-A METTL3 inhibitors 杭州邦顺制药有限公司 2025-04-29 CN disclosed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20240002339-A1 THERAPEUTIC COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH 2024-01-04 US disclosed
EP-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 EP disclosed
CN-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 CN disclosed
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
CN-114213396-B Indole-2-ketone compound and preparation method and application thereof 深圳市乐土生物医药有限公司 2023-03-24 CN disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO disclosed
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 US disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (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-20240002339-A1 THERAPEUTIC COMPOUNDS AND METHODS CDK2, CDK1, CCNI CYP2A6 3813/4885ALDH1A1 3926/4885KDM4E 1446/4885
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2A6 4370/4885ALDH1A1 4369/4885KDM4E 171/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B CYP2A6 202/4885ALDH1A1 1218/4885KDM4E 1970/4885
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 CYP2A6 255/4885ALDH1A1 516/4885KDM4E 3636/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C CYP2A6 287/4885ALDH1A1 961/4885KDM4E 2977/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 CYP2A6 2040/4885ALDH1A1 3877/4885KDM4E 1948/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2A6 4370/4885ALDH1A1 4369/4885KDM4E 171/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885ALDH1A1 4277/4885KDM4E 1372/4885

“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.