SCHEMBL1594417

SCHEMBL1594417

c1ccc2c(c1)[nH]c1cc3ccncc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.61
TDO2 P48775 3/20 0.61
ALDH1A1 P00352 2/20 0.61
ACHE P22303 1/20 0.61
KDM4E B2RXH2 1/20 0.61
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
IKBKB O14920 1/20 0.61
AURKA O14965 1/20 0.61
CHUK O15111 1/20 0.61
TOP1 P11387 1/20 0.61
GABRA1 P14867 1/20 0.61
IDO1 P14902 1/20 0.61
HPGD P15428 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRG2 P18507 1/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
GABRB3 P28472 1/20 0.61
GABRA5 P31644 1/20 0.61

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
SCHEMBL22810058 1.00 PIM1 (0.61) PIM1TDO2ALDH1A1ACHEKDM4E
SCHEMBL29625633 0.89 HASPIN (0.59) PIM1ACHECHUKHASPINCCNT1
SCHEMBL9739332 0.86 ACHE (0.57) PIM1ACHEHASPINCCNT1CDK9
SCHEMBL31037120 0.82 AHR (0.74) ALDH1A1KDM4EHPGDAHRTOP2A
SCHEMBL5716702 0.82 AHR (0.74) ALDH1A1KDM4EHPGDAHRTOP2A
SCHEMBL29386574 0.82 AHR (0.74) ALDH1A1KDM4EHPGDAHRTOP2A
SCHEMBL12886713 0.81 HASPIN (0.51) PIM1TDO2ALDH1A1ACHEKDM4E
SCHEMBL11071687 0.81 HASPIN (0.48) PIM1ACHECHUKHASPINCCNT1
SCHEMBL17228830 0.80 AHR (0.78) ALDH1A1KDM4EHPGDAHRTOP2A
SCHEMBL15073657 0.80 AHR (0.77) ALDH1A1KDM4EHPGDAHRTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3352794-A1 A SYNTHETIC LETHAL DRUG COMBINATION FOR TREATING RENAL CELL CARCINOMA Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2018-08-01 EP claimed
WO-2017050842-A1 A SYNTHETIC LETHAL DRUG COMBINATION FOR TREATING RENAL CELL CARCINOMA COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-03-30 WO claimed
US-20020160972-A1 Compositions and methods for modulating RNA ISIS PHARMACEUTICALS, INC. 2002-10-31 US claimed
US-6358931-B1 OLIGONUCLETIDE CONJUGATED TO IMIDAZOLE; INTERCALATION AND COORDINATION COMPOUNDS; MEDICAL DIAGNOSIS, GENE THERAPY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP claimed
EP-0035244-B1 CYCLOALKA(4,5)PYRROLO(2,3-G)ISOQUINOLINES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP claimed
US-4483989-A BENZOYLATION 6-HYDROXYCARBAZOLE, FORMYLATING, CYCLIZATION, AND SAPONIFICATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1984-11-20 US claimed
EP-0010029-B1 ELLIPTICINES SUBSTITUTED IN POSITION 1 BY A POLYAMINE CHAIN, THEIR SYNTHESIS AND MEDICINES CONTAINING THEM ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1982-11-17 EP claimed
EP-0010029-A2 Ellipticines substituted in position 1 by a polyamine chain, their synthesis and medicines containing them ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-04-16 EP claimed
EP-4210703-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS Expansion Therapeutics, Inc. (US) 2023-07-19 EP disclosed
US-20220288100-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS IONIS PHARMACEUTICALS, INC. (US) 2022-09-15 US disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 WO disclosed
CN-111100123-B A process for preparing ellipticine or substituted ellipticine 中国医学科学院药物研究所 2021-08-13 CN disclosed
US-20200276222-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS IONIS PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP disclosed
EP-0035244-B1 CYCLOALKA(4,5)PYRROLO(2,3-G)ISOQUINOLINES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
US-4483989-A BENZOYLATION 6-HYDROXYCARBAZOLE, FORMYLATING, CYCLIZATION, AND SAPONIFICATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1984-11-20 US disclosed
US-4434290-A TREATMENT OF LEUKEMIAS AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1984-02-28 US disclosed
EP-0010029-B1 ELLIPTICINES SUBSTITUTED IN POSITION 1 BY A POLYAMINE CHAIN, THEIR SYNTHESIS AND MEDICINES CONTAINING THEM ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1982-11-17 EP disclosed
EP-0010029-A2 Ellipticines substituted in position 1 by a polyamine chain, their synthesis and medicines containing them ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-04-16 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 (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-20020160972-A1 Compositions and methods for modulating RNA RNGTT, NSUN3, NSUN2 PIM1 2794/4885TDO2 4054/4885ALDH1A1 2561/4885
US-20200276222-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS NSUN2, SNRPE, RBM3 PIM1 3818/4885TDO2 3223/4885ALDH1A1 4411/4885
US-20220288100-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS NSUN2, SNRPE, RBM3 PIM1 3818/4885TDO2 3223/4885ALDH1A1 4411/4885

“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.