SCHEMBL17664478

SCHEMBL17664478

O=C(N/C=C/c1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.54
▸ RAB9A P51151 12/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ GSK3B P49841 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48

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
SCHEMBL17664216 0.81 TRPV1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL19398209 0.81 CCR2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13675916 0.77 TRPV1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664228 0.76 CA12 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664295 0.75 NPC1 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664263 0.74 CA12 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL19403216 0.74 TRPV1 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL19668244 0.74 KDR (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL107421 0.73 RAB9A (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10220635 0.72 CCR2 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 2234/4885RAB9A 2608/4885KMT2A 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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