SCHEMBL787397

SCHEMBL787397

CCC(C(N)=O)N1C(=O)OCc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LMNA P02545 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3369814 0.81 DPP8 (0.40) DPP8DPP9DPP7LMNACA12
SCHEMBL787563 0.75 PGR (0.50) DPP8DPP9DPP7LMNACA12
SCHEMBL787719 0.74 HDAC1 (0.39) LMNATSHRALDH1A1HTTHSD17B3
SCHEMBL17421175 0.70 BRD4 (0.41) LMNACA1CA2SMN1; SMN2TSHR
SCHEMBL19805048 0.70 BRD4 (0.36) LMNASMN1; SMN2TSHRHPGDL3MBTL1
SCHEMBL31122090 0.68 DPP8 (0.43) DPP8DPP9DPP7LMNACA12
SCHEMBL31347591 0.67 SRD5A1 (0.36) LMNASMN1; SMN2TSHRHPGDL3MBTL1
SCHEMBL661249 0.67 BMPR1B (0.39) DPP8DPP9DPP7LMNAHTT
SCHEMBL12472190 0.67 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL662686 0.67 LMNA (0.40) LMNACA12CA1CA2CA3

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-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-03-22 US claimed
WO-2010103064-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-09-16 WO claimed
US-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-03-22 US disclosed
WO-2010103064-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-09-16 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-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS PMP22, GRIN2C, NLN DPP8 2502/4885DPP9 2697/4885DPP7 2080/4885

“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.