SCHEMBL4060282

SCHEMBL4060282

O=C(NC1Cc2ccccc2C1)c1ccc2c(c1)N(c1ccccn1)CN2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL2079176 0.74 FGFR1 (0.46) DRD2DRD4USP30PDE4BPDE4D
SCHEMBL2078796 0.74 TP53 (0.52) —
SCHEMBL6499068 0.67 GRM5 (0.66) NAMPT
SCHEMBL5439855 0.65 NPC1 (0.56) —
SCHEMBL2078292 0.64 SMYD3 (0.61) HDAC8HDAC6MAPK14
SCHEMBL8161785 0.63 NPC1 (0.73) HDAC8DRD2DRD4PRMT5
SCHEMBL248645 0.63 NPC1 (0.61) DRD2DRD4NAMPT
SCHEMBL3798283 0.63 PRMT5 (0.61) USP30PRMT5
SCHEMBL2078828 0.63 SMYD3 (0.53) HDAC8
SCHEMBL2079610 0.63 KMT2A (0.56) DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 — — EP 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 (2 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-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 HDAC8 2275/4885WNT1 400/4885DYRK1A 1987/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 HDAC8 2636/4885WNT1 466/4885DYRK1A 1836/4885

“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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