SCHEMBL17664224

SCHEMBL17664224

COc1cccc(/C=C/NC(=O)Nc2ccc3c(c2)OCO3)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.70
▸ RAB9A P51151 9/20 0.70
▸ KMT2A Q03164 6/20 0.70
▸ MEN1 O00255 5/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CA12 O43570 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CA1 P00915 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL19398209 0.81 CCR2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664263 0.80 CA12 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL19403216 0.80 TRPV1 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664216 0.75 TRPV1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664295 0.73 NPC1 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17664478 0.72 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL107421 0.71 RAB9A (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL27927139 0.71 NPC1 (0.66) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6647149 0.71 MAPT (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6647157 0.71 MAPT (0.59) 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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