SCHEMBL5402406

SCHEMBL5402406

O=Cc1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
CYP2A6 P11509 2/20 0.51
IMPDH2 P12268 1/20 0.51
IDO1 P14902 1/20 0.47
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KIF11 P52732 2/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL15161665 0.88 IDO1 (0.43) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL5429223 0.88 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL2533000 0.87 CYP2A6 (0.58) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29644219 0.87 CYP2A6 (0.58) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29953288 0.84 PIM1 (0.47) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29935857 0.77 CAPN1 (0.59) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL208051 0.77 CAPN1 (0.59) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29954011 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL2535952 0.76 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29609054 0.75 KIF11 (0.49) ALDH1A1CYP1A2IDO1KDM4EKIF11

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
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
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-115974839-B AChE/SERT double-target inhibitor and preparation method and application thereof 珠海市藤栢医药有限公司 2023-10-20 CN disclosed
WO-2023116915-A1 ACHE/SERT DUAL-TARGET INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 珠海市藤栢医药有限公司 2023-06-29 WO disclosed
CN-115974839-A AChE/SERT double-target-point inhibitor and preparation method and application thereof 珠海市藤栢医药有限公司 2023-04-18 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US 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-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 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-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB 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 (4 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 ALDH1A1 516/4885CYP1A2 88/4885CYP2C19 39/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C ALDH1A1 961/4885CYP1A2 153/4885CYP2C19 41/4885
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC ALDH1A1 903/4885CYP1A2 276/4885CYP2C19 9/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 ALDH1A1 600/4885CYP1A2 942/4885CYP2C19 1739/4885

“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.