SCHEMBL4123663

SCHEMBL4123663

CC(=O)c1ccc2c(c1)NC(=O)N(C)C2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.54
CREBBP Q92793 1/20 0.54
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
TRPV1 Q8NER1 10/20 0.44
HSD17B1 P14061 1/20 0.43

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
SCHEMBL31490089 0.88 BRD4 (0.54) BRD4CREBBPTRPV1
SCHEMBL21932292 0.84 BRD4 (0.56) BRD4CREBBPTRPV1
SCHEMBL4117446 0.81 MAPT (0.41) NPC1MAPTRAB9ATRPV1HSD17B1
SCHEMBL13090753 0.77 BRD4 (0.61) BRD4CREBBPTRPV1
SCHEMBL15053395 0.77 TRPV1 (0.53) BRD4CREBBPTRPV1
SCHEMBL4123040 0.76 BRD4 (0.76) BRD4CREBBPTRPV1
SCHEMBL27554931 0.76 BRD4 (0.59) BRD4CREBBPTRPV1
SCHEMBL3599751 0.76 BRD4 (0.59) BRD4CREBBPMAPTTRPV1
SCHEMBL14521036 0.76 CRBN (0.60) NPC1MAPTRAB9AHSD17B1
SCHEMBL3604431 0.76 BRD4 (0.59) BRD4CREBBPTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
EP-2260026-B1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-22 EP disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 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-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C BRD4 164/4885CREBBP 2730/4885NPC1 1372/4885

“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.