SCHEMBL2351990

SCHEMBL2351990

CCCCC(c1ccnc(C#N)c1OCc1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.40
CYP19A1 P11511 10/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 3/20 0.35
CYP26A1 O43174 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
IDO1 P14902 2/20 0.33
CYP2C19 P33261 2/20 0.33
CNR1 P21554 2/20 0.33
NR1I2 O75469 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
NR3C1 P04150 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL9791560 0.84 CYP24A1 (0.39) CYP17A1CYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL2356498 0.80 CYP17A1 (0.39) CYP17A1CYP19A1KDM4EALDH1A1HPGD
SCHEMBL2353622 0.80 CYP17A1 (0.43) CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6
SCHEMBL2353686 0.74 CYP17A1 (0.40) CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6
SCHEMBL8973344 0.71 CYP17A1 (0.71) CYP17A1CYP19A1CYP3A4
SCHEMBL9791534 0.69 CYP17A1 (0.50) CYP17A1CYP19A1
SCHEMBL11703823 0.69 CYP17A1 (0.47) CYP17A1CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL11468181 0.66 CYP17A1 (0.47) CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6
SCHEMBL2356494 0.66 CYP19A1 (0.42) CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6
SCHEMBL2354714 0.66 CYP19A1 (0.41) CYP17A1CYP19A1KDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021434-A Aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-04 US claimed
EP-0337928-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 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-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-1381431-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2004-01-21 EP disclosed
WO-2003082336-A1 FEMALE BIRTH CONTROL METHOD JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2002083146-A1 MULTIPLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083241-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083239-A1 AROMATASE INHIBITORS FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION 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-5021434-A Aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0337928-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 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 CYP17A1 4/4885CYP19A1 1/4885KDM4E 1480/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP17A1 268/4885CYP19A1 7/4885KDM4E 741/4885

“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.