SCHEMBL1041273

SCHEMBL1041273

Brc1ccc(C2CCCc3cncn32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 1.00
CYP11B2 P19099 7/20 0.68
CYP11B1 P15538 3/20 0.68
KCNH2 Q12809 1/20 0.68

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
Nitric Acid SCHEMBL9845213 0.90 CYP19A1 (0.81) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041969 0.86 CYP19A1 (0.76) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1912921 0.85 CYP19A1 (0.74) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2142550 0.85 CYP19A1 (0.74) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2354499 0.85 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL14769100 0.84 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2351179 0.84 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
Hydrochloric Acid SCHEMBL9260352 0.84 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2354504 0.82 CYP19A1 (0.70) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL25491 0.81 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP claimed
US-4617307-A Substituted imidazo[1,5-A]pyridine derivatives as aromatase inhibitors CIBA-GEIGY CORPORATION (US) 1986-10-14 US claimed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP claimed
US-12590950-B2 Methods for predicting ER-mediated DNA damage UNIVERSITY OF MASSACHUSETTS (US) 2026-03-31 US disclosed
US-20210109085-A1 METHODS FOR PREDICTING ER-MEDIATED DNA DAMAGE UNIVERSITY OF MASSACHUSETTS 2021-04-15 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-0366609-B1 Use of bicyclic imidazole derivatives in treating hyperaldosteronism CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
US-5057521-A USE OF BICYCLIC IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HYPERALDOSTERONISM CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed
EP-0366609-A2 Use of bicyclic imidazole derivatives in treating hyperaldosteronism CIBA-GEIGY AG (CH) 1990-05-02 EP disclosed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US disclosed
US-4728645-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
US-4617307-A Substituted imidazo[1,5-A]pyridine derivatives as aromatase inhibitors CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 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 (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-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP19A1 1/4885CYP11B2 14/4885CYP11B1 5/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP11B2 399/4885CYP11B1 525/4885

“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.