SCHEMBL2353570

SCHEMBL2353570

O=C(O)c1ccc(-c2cccc3cncn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
IDO1 P14902 3/20 0.48
CYP11B2 P19099 1/20 0.46
TBXAS1 P24557 9/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PTGIS Q16647 1/20 0.44
ADH5 P11766 1/20 0.40
CHEK1 O14757 1/20 0.40
TTR P02766 1/20 0.39

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
Hydrochloric Acid SCHEMBL9265699 0.98 SRC (0.48) SRCIDO1CYP11B2TBXAS1MKNK1
SCHEMBL2354076 0.87 IDO1 (0.48) IDO1CYP11B2TBXAS1MKNK1MKNK2
SCHEMBL3536508 0.82 CYP11B2 (0.55) SRCIDO1CYP11B2TBXAS1PTGS1
Hydrochloric Acid SCHEMBL3537661 0.81 CYP11B2 (0.54) SRCIDO1CYP11B2TBXAS1PTGS1
SCHEMBL10650910 0.79 TBXAS1 (0.55) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10648250 0.79 TBXAS1 (0.55) CYP11B2TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10652058 0.78 CYP11B2 (0.50) SRCIDO1CYP11B2TBXAS1PTGS1
SCHEMBL10645953 0.77 TBXAS1 (0.48) IDO1CYP11B2TBXAS1PTGS1PTGS2
SCHEMBL10650048 0.77 TBXAS1 (0.41) IDO1CYP11B2TBXAS1PTGS1PTGS2
SCHEMBL10645946 0.77 TBXAS1 (0.48) IDO1CYP11B2TBXAS1PTGS1PTGS2

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 48 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
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-8871750-B2 Use of aromatase inhibitors for endometrial thinning in preparation for surgical procedures on the endometrial cavity and uterus WAYNE STATE UNIVERSITY (US) 2014-10-28 US disclosed
US-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US disclosed
EP-1898923-A4 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION CASPER ROBERT F (CA) 2009-05-20 EP disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1898923-A1 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION Casper, Robert F. (CA) 2008-03-19 EP 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
EP-0114573-B1 IMIDAZO(1,5-A)PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1988-04-20 EP 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
US-4588732-A Certain imidazo(1,5-a)pyridine derivatives and their use as thromboxane synthetase inhibitors CIBA-GEIGY CORPORATION (US) 1986-05-13 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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 SRC 1971/4885IDO1 1027/4885CYP11B2 25/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA SRC 2938/4885IDO1 4784/4885CYP11B2 399/4885

“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.