SCHEMBL17664223

SCHEMBL17664223

O=C(N/C=C/c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ MLYCD O95822 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CCR1 P32246 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL17664339 0.90 PTPN1 (0.41) ATG4BALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL17664233 0.83 MLYCD (0.53) ATG4BALDH1A1MLYCDKDM4ENPSR1
SCHEMBL17664230 0.80 LMNA (0.52) ATG4BALDH1A1MEN1GAAKMT2A
SCHEMBL17664338 0.77 DDT (0.53) ATG4BALDH1A1MLYCDKDM4ENPSR1
SCHEMBL11305513 0.76 AR (0.51) ATG4BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24713109 0.73 MLYCD (0.67) ATG4BMLYCDKDM4ENPSR1MEN1
SCHEMBL17664337 0.73 LMNA (0.51) ALDH1A1NPSR1MEN1KMT2AMAOA
SCHEMBL17664237 0.72 CNR1 (0.58) MLYCDKDM4ENPSR1MEN1KMT2A
SCHEMBL17664289 0.72 CNR1 (0.64) ATG4BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL17664236 0.71 CNR1 (0.57) MLYCDKDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 — — 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG ATG4B 2737/4885ALDH1A1 1583/4885MLYCD 1551/4885

“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.

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