SCHEMBL19403858

SCHEMBL19403858

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1cccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ P4HB P07237 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ FAAH O00519 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL17664330 0.83 MEN1 (0.46) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664288 0.81 L3MBTL1 (0.47) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664299 0.80 HTT (0.60) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664313 0.79 MAPT (0.64) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664301 0.79 KDM4E (0.57) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664221 0.75 NPC1 (0.56) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664340 0.73 MEN1 (0.55) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL18229945 0.73 MAPT (0.68) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664233 0.72 MLYCD (0.53) KMT2AMEN1LMNAHSP90AA1MAPT
SCHEMBL17664336 0.72 TRPV1 (0.52) KMT2AMEN1LMNAHSP90AA1MAPT

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 1 patent. 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

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 KMT2A 2159/4885MEN1 1148/4885LMNA 1997/4885

“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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