SCHEMBL4397001

SCHEMBL4397001

Clc1c[c]c2ncc(Cl)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL4399733 0.86 PLAU (0.32) HTTHSD17B10PLAU
SCHEMBL4405857 0.86 HTT (0.31) HTTHSD17B10
SCHEMBL4411598 0.86 CCR1 (0.31)
SCHEMBL4409372 0.84
SCHEMBL4397674 0.84 PLAU (0.33) HTTSMN1; SMN2PLAU
SCHEMBL28292655 0.79 ALDH1A1 (0.34) CYP2C9SMN1; SMN2
SCHEMBL4401093 0.75 CYP2A6 (0.34) NOS1HTTHSD17B10LMNACYP2C9
SCHEMBL2288767 0.72 NR4A2 (0.46) HTTHSD17B10LMNATSHRSMN1; SMN2
SCHEMBL7875010 0.68 NOS1 (0.33) NOS1LMNACYP2C9TSHRAPEX1
SCHEMBL4409411 0.67

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
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 US disclosed
EP-2665713-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 EP disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 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-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 NOS1 795/4885HTT 2323/4885HSD17B10 477/4885

“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.