SCHEMBL17664304

SCHEMBL17664304

N#Cc1ccc(NC(=O)N/C=C/c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ LMNA P02545 7/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ RAB9A P51151 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ IL18 Q14116 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4913015 0.84 RAB9A (0.56) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL4913013 0.84 RAB9A (0.56) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL12204615 0.83 MEN1 (0.62) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL27731445 0.82 MAPT (0.65) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL17664290 0.79 AR (0.55) BLM
SCHEMBL17664295 0.73 NPC1 (0.60) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL27582562 0.73 MAPT (0.62) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL11054945 0.72 MAPT (0.81) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL17664291 0.72 MAPT (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4921584 0.71 MEN1 (0.58) MAPTMEN1KMT2ALMNAMAPK1

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 MAPT 367/4885MEN1 1148/4885KMT2A 2159/4885

“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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