SCHEMBL2353622

SCHEMBL2353622

CCCCC(c1ccncc1OCc1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.43
CYP19A1 P11511 6/20 0.41
CNR1 P21554 2/20 0.38
PLK1 P53350 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
IDO1 P14902 2/20 0.36
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.36
TRPM2 O94759 1/20 0.36
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
NR3C1 P04150 1/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL2356498 0.84 CYP17A1 (0.39) CYP17A1CYP19A1CNR1MEN1KMT2A
SCHEMBL2353686 0.84 CYP17A1 (0.40) CYP17A1CYP19A1CNR1MEN1KMT2A
SCHEMBL9791462 0.82 PLK1 (0.42) CYP17A1PLK1MEN1KMT2AHTT
SCHEMBL9791533 0.80 PLK1 (0.42) PLK1MEN1KMT2AHTTTACR2
SCHEMBL2351990 0.80 CYP17A1 (0.40) CYP17A1CYP19A1CNR1MEN1KMT2A
SCHEMBL11703823 0.78 CYP17A1 (0.47) CYP17A1CYP19A1CNR1CYP1A2CYP3A4
SCHEMBL8973344 0.75 CYP17A1 (0.71) CYP17A1CYP19A1CYP3A4
SCHEMBL11702953 0.75 CYP17A1 (0.42) CYP17A1CYP19A1CNR1MEN1KMT2A
SCHEMBL5597450 0.73 PLK1 (0.37) PLK1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11703004 0.73 CYP19A1 (0.48) CYP17A1CYP19A1CNR1IDO1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO 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-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION 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
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 1/4885CNR1 398/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP17A1 268/4885CYP19A1 7/4885CNR1 2925/4885

“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.