SCHEMBL2352227

SCHEMBL2352227

Cn1nnc2ccc(C(c3ccccc3)n3ccnc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.58
CYP17A1 P05093 2/20 0.56
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
USP2 O75604 1/20 0.56
ABCB11 O95342 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PLA2G1B P04054 1/20 0.56
TP53 P04637 1/20 0.56
PGR P06401 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
IDO1 P14902 1/20 0.56
HPGD P15428 1/20 0.56
MAOA P21397 1/20 0.56
CNR1 P21554 1/20 0.56
HTR2A P28223 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL9523312 0.89 CYP19A1 (0.65) CYP19A1CYP3A4CYP26A1CYP11B1
Hydrochloric Acid SCHEMBL9523958 0.87 CYP19A1 (0.48) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL3279238 0.86 CYP19A1 (0.60) CYP19A1CYP17A1MEN1NR1I2USP2
Oxalic Acid SCHEMBL9524290 0.86 CYP19A1 (0.47) CYP19A1CYP17A1MEN1NR1I2USP2
Oxalic Acid SCHEMBL9867754 0.84 CYP19A1 (0.46) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL9524627 0.84 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL9524606 0.83 CYP11B1 (0.46) CYP19A1CYP17A1MEN1NR1I2USP2
Nitric Acid SCHEMBL9527180 0.82 CYP19A1 (0.53) CYP19A1CYP17A1MEN1NR1I2USP2
Oxalic Acid SCHEMBL9527036 0.82 CYP19A1 (0.51) CYP19A1CYP17A1MEN1NR1I2USP2
Oxalic Acid SCHEMBL27275153 0.82 CYP19A1 (0.51) CYP19A1CYP17A1MEN1NR1I2USP2

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 47 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-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP claimed
EP-0516278-A1 Use of anti-mullerian hormone for reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1992-12-02 EP claimed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP claimed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US claimed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO claimed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP claimed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP claimed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US claimed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 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-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-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US disclosed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 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 (1 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-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP17A1 268/4885MEN1 4762/4885

“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.