SCHEMBL2789486

SCHEMBL2789486

c1cncc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 1.00
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 5/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
STAT1 P42224 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LDHA P00338 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL29790209 1.00 CYP19A1 (1.00) CYP19A1NPC1RAB9AKDM4EHPGD
Hydrochloric Acid SCHEMBL27830550 0.98 CYP19A1 (0.97) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL25166926 0.87 CYP19A1 (0.77) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL18443314 0.85 CYP19A1 (0.74) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL25168239 0.84 CYP19A1 (0.72) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL31317820 0.83 CYP19A1 (0.71) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL21812408 0.83 CYP19A1 (0.71) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL1606556 0.81 CYP19A1 (0.68) CYP19A1MAPTCDK5CDK5R1CYP11B1
SCHEMBL694356 0.81 CYP19A1 (0.68) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL7939806 0.81 CYP19A1 (0.68) CYP19A1NPC1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129051-B1 SUBSTITUTED INDOLES CIBA-GEIGY AG (CH) 1990-07-04 EP claimed
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 US disclosed
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 US disclosed
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 EP disclosed
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
WO-2023162653-A1 RESIST UNDERLAYER FILM FORMATION COMPOSITION 日産化学株式会社 2023-08-31 WO disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
EP-0129051-B1 SUBSTITUTED INDOLES CIBA-GEIGY AG (CH) 1990-07-04 EP disclosed
EP-0336950-A1 POTENTIATION OF ANTIHYPERTENSIVE EFFECT OF ACE INHIBITORS CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed
EP-0336950-A1 POTENTIATION OF ANTIHYPERTENSIVE EFFECT OF ACE INHIBITORS CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed
WO-1989003691-A1 POTENTIATION OF ANTIHYPERTENSIVE EFFECT OF ACE INHIBITORS CIBA-GEIGY AG (CH) 1989-05-05 WO disclosed
WO-1989003691-A1 POTENTIATION OF ANTIHYPERTENSIVE EFFECT OF ACE INHIBITORS CIBA-GEIGY AG (CH) 1989-05-05 WO disclosed
US-4511573-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-04-16 US disclosed
EP-0129051-A2 Substituted indoles CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
US-4342769-A 2-[(Methylsulfinyl)acetyl]-3-heterocyclicindoles and derivatives thereof as immunosuppressants SCHERING CORPORATION (US) 1982-08-03 US disclosed
US-4328345-A Pyridyl substituted indoles SCHERING CORPORATION (US) 1982-05-04 US disclosed
US-4225711-A Substituted 2-[(methylsulfinyl)acetyl]-3-heterocyclicindoles and their use as immunosuppressants SCHERING CORPORATION (US) 1980-09-30 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 (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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A CYP19A1 892/4885NPC1 1099/4885RAB9A 2052/4885
US-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 CYP19A1 3222/4885NPC1 228/4885RAB9A 3462/4885

“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.