SCHEMBL787563

SCHEMBL787563

CCC(C(N)=O)N1C(=O)OC(C)(C)c2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.50
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTT P42858 1/20 0.34
ANPEP P15144 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
SCHEMBL787119 0.76 PGR (0.54) PGRALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL787397 0.75 DPP8 (0.38) ALDH1A1KMT2APKMSMN1; SMN2LMNA
SCHEMBL19805080 0.73 PGR (0.74) PGRALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL3369814 0.71 DPP8 (0.40) ALDH1A1KMT2APKMSMN1; SMN2LMNA
SCHEMBL4848996 0.67 PGR (1.00) PGR
SCHEMBL31122090 0.64 DPP8 (0.43) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL2255901 0.64 ANPEP (0.36) ALDH1A1KMT2APKMSMN1; SMN2LMNA
SCHEMBL16427152 0.63 PGR (0.60) PGRKMT2ASMN1; SMN2LMNA
SCHEMBL4847925 0.62 PGR (1.00) PGRALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL346818 0.62 HTR2A (0.41) 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 PGR 3945/4885ALDH1A1 670/4885KMT2A 1962/4885

“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.