SCHEMBL2776384

SCHEMBL2776384

CCCC(c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
USP2 O75604 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HIF1A Q16665 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 2/20 0.44
ALPL P05186 1/20 0.44
CYP19A1 P11511 5/20 0.42
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL11706056 0.89 CYP19A1 (0.46) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2775692 0.85 CYP19A1 (0.43) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL11707276 0.84 CYP19A1 (0.45) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL11706087 0.84 CYP19A1 (0.45) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2354714 0.82 CYP19A1 (0.41) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2352623 0.81 CYP3A4 (0.40) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL11704755 0.80 CYP19A1 (0.44) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2777367 0.78 NR4A2 (0.45) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2356494 0.77 CYP19A1 (0.42) CYP3A4LMNAMAPTKMT2AUSP2
SCHEMBL2353051 0.77 HDAC8 (0.44) CYP3A4LMNAMAPTKMT2AUSP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337929-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-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US disclosed
US-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus MOUNT SINAI HOSPITAL (CA) 2008-02-21 US disclosed
US-20080025991-A1 Use of Aromatase Inhibitors for Treatment of Ectopic Pregnancy MOUNT SINAI HOSPITAL (CA) 2008-01-31 US disclosed
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS PHARMACEUTICALS CORPORATION 2006-03-30 US disclosed
US-20040235812-A1 Pharmaceutical composition comprisng an aromatase inhibitor and an estrogen suitable for hormone replacement therapy for a male CASPERS ROBERT F (CA) 2004-11-25 US disclosed
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol ARES TRADING S.A. (CH) 2004-10-14 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 (7 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-20040235812-A1 Pharmaceutical composition comprisng an aromatase inhibitor and an estrogen suitable for hormone replacement therapy for a male CYP19A1, SHBG, CYP17A1 CYP3A4 61/4885LMNA 924/4885MAPT 1752/4885
US-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus CYP19A1, SHBG, HSD17B11 CYP3A4 80/4885LMNA 759/4885MAPT 4381/4885
US-20080025991-A1 Use of Aromatase Inhibitors for Treatment of Ectopic Pregnancy CYP19A1, HSD17B11, CYP17A1 CYP3A4 106/4885LMNA 2790/4885MAPT 3791/4885
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate CYP19A1, BRCA1, SHBG CYP3A4 909/4885LMNA 3219/4885MAPT 4676/4885
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol CYP19A1, CYP11A1, HSD17B11 CYP3A4 41/4885LMNA 4437/4885MAPT 4794/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP3A4 32/4885LMNA 1582/4885MAPT 4649/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP3A4 532/4885LMNA 1025/4885MAPT 1900/4885

“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.