SCHEMBL19398209

SCHEMBL19398209

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.57
▸ CA12 O43570 6/20 0.53
▸ CA9 Q16790 6/20 0.53
▸ CA2 P00918 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 6/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ POLB P06746 2/20 0.52
▸ CA1 P00915 3/20 0.51
▸ TRPV1 Q8NER1 2/20 0.51
▸ HSP90AA1 P07900 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NFKB1 P19838 1/20 0.49

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 0.88 TRPV1 (0.62) CCR2CA12CA9CA2MAPT
SCHEMBL17664299 0.85 HTT (0.60) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL17664313 0.84 MAPT (0.64) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL10220635 0.83 CCR2 (0.74) CCR2MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL17664224 0.81 NPC1 (0.70) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL17664478 0.81 NPC1 (0.54) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL17664263 0.80 CA12 (0.72) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL13675909 0.78 TRPV1 (0.80) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL18229945 0.78 MAPT (0.68) CA12CA9CA2MAPTSMN1; SMN2
SCHEMBL19403216 0.78 TRPV1 (0.60) CA12CA9CA2MAPTSMN1; 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 2 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

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 CCR2 4656/4885CA12 3854/4885CA9 2726/4885

“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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