SCHEMBL2844155

SCHEMBL2844155

CC(CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
MAPT P10636 9/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 3/20 0.51
POLB P06746 2/20 0.49
HTT P42858 3/20 0.47
NPC1 O15118 2/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.47
MYOC Q99972 1/20 0.46

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
SCHEMBL9709062 0.79 MME (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6918119 0.79 MAPT (0.70) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8967473 0.78 MEN1 (0.59) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29111851 0.77 KMT2A (0.62) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29111764 0.77 KMT2A (0.62) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29111760 0.77 KMT2A (0.62) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11712713 0.77 MEN1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7125574 0.76 KMT2A (0.61) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10914836 0.76 KMT2A (0.61) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL987822 0.76 KMT2A (0.61) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP claimed
US-4895715-A Method of treating gynecomastia SCHERING CORPORATION (US) 1990-01-23 US claimed
EP-1545479-B1 COMPOSITIONS OF EZETIMIBE AND METHODS FOR THE TREATMENT OF CHOLESTEROL-ASSOCIATED BENIGN AND MALIGNANT TUMORS KARYKION INC (US) 2010-10-27 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
EP-1545479-A4 COMPOSITIONS OF EZETIMIBE AND METHODS FOR THE TREATMENT OF CHOLESTEROL-ASSOCIATED BENIGN AND MALIGNANT TUMORS KARYKION INC (US) 2007-10-24 EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
US-20050288230-A1 Non-steroidal anti-androgen therapy ASTRAZENECA AB (SE) 2005-12-29 US disclosed
EP-1545479-A2 COMPOSITIONS OF EZETIMIBE AND METHODS FOR THE TREATMENT OF CHOLESTEROL-ASSOCIATED BENIGN AND MALIGNANT TUMORS Karykion Inc. (US) 2005-06-29 EP disclosed
WO-2004010948-A2 COMPOSITIONS OF EZETIMIBE AND METHODS FOR THE TREATMENT OF CHOLESTEROL-ASSOCIATED BENIGN AND MALIGNANT TUMORS KARYKION INC. (US) 2004-02-05 WO disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5843953-A 7-substituted 4-aza cholanic acid derivatives and their use MERCK & CO., INC. (US) 1998-12-01 US disclosed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP disclosed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-4895715-A Method of treating gynecomastia SCHERING CORPORATION (US) 1990-01-23 US disclosed
WO-1989000165-A1 ORALLY ACTIVE ANTIANDROGENS SCHERING CORPORATION (US) 1989-01-12 WO 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-20050288230-A1 Non-steroidal anti-androgen therapy NR5A1, AR, SHBG MEN1 2418/4885KMT2A 779/4885MAPT 4128/4885

“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.