SCHEMBL2354076

SCHEMBL2354076

NC(=O)c1ccc(-c2cccc3cncn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TBXAS1 P24557 6/20 0.46
MKNK1 Q9BUB5 8/20 0.45
MKNK2 Q9HBH9 8/20 0.45
CYP11B2 P19099 1/20 0.44
FYN P06241 2/20 0.41
MAP4K4 O95819 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGIS Q16647 1/20 0.40

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
SCHEMBL2353570 0.87 SRC (0.49) IDO1TBXAS1MKNK1MKNK2CYP11B2
Hydrochloric Acid SCHEMBL9265699 0.85 SRC (0.48) IDO1TBXAS1MKNK1MKNK2CYP11B2
SCHEMBL2347989 0.79 TBXAS1 (0.49) TBXAS1
SCHEMBL3536508 0.78 CYP11B2 (0.55) IDO1TBXAS1CYP11B2FYNMAP4K4
SCHEMBL2349590 0.77 CYP11B2 (0.48) IDO1TBXAS1CYP11B2PTGS1PTGS2
Hydrochloric Acid SCHEMBL3537661 0.76 CYP11B2 (0.54) IDO1TBXAS1CYP11B2FYNMAP4K4
SCHEMBL10652058 0.76 CYP11B2 (0.50) IDO1TBXAS1CYP11B2PTGS1PTGS2
SCHEMBL2350354 0.76 CYP11B2 (0.47) IDO1TBXAS1MKNK1MKNK2CYP11B2
SCHEMBL10846590 0.75 TBXAS1 (0.55) TBXAS1CYP11B2PTGS1PTGS2PTGIS
SCHEMBL10650910 0.75 TBXAS1 (0.55) TBXAS1PTGS1PTGS2PTGIS

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 50 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-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 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
WO-2002083146-A1 MULTIPLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-5428160-A Condensation of imidazole derivative with cyano- or halo-substituted benzene derivative containing leaving group esterified with carboxylic or sulfonic acid CIBA-GEIGY CORPORATION (US) 1995-06-27 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
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 IDO1 1027/4885TBXAS1 127/4885MKNK1 3771/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA IDO1 4784/4885TBXAS1 1301/4885MKNK1 4063/4885

“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.