SCHEMBL17664230

SCHEMBL17664230

O=C(N/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FBP1 P09467 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CCR1 P32246 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ KIF11 P52732 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ EPHX1 P07099 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ IP6K1 Q92551 1/20 0.42
▸ IP6K3 Q96PC2 1/20 0.42
▸ IP6K2 Q9UHH9 1/20 0.42

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
SCHEMBL17664337 0.84 LMNA (0.51) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL17664233 0.84 MLYCD (0.53) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL17664338 0.80 DDT (0.53) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL17664223 0.80 ATG4B (0.49) LMNAMEN1KMT2AALDH1A1CCR1
SCHEMBL17664237 0.75 CNR1 (0.58) LMNAMAPTMEN1KMT2ATRPV1
SCHEMBL17664299 0.73 HTT (0.60) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL17664301 0.72 KDM4E (0.57) LMNAMAPTMEN1KMT2AFBP1
SCHEMBL17664313 0.72 MAPT (0.64) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL17664339 0.71 PTPN1 (0.41) LMNAMAPTFBP1ALDH1A1ATG4B
SCHEMBL17664340 0.71 MEN1 (0.55) LMNAMAPTMEN1KMT2AFBP1

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 LMNA 1997/4885MAPT 367/4885MEN1 1148/4885

“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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