SCHEMBL4128012

SCHEMBL4128012

COC(=O)c1c(C)c(-c2noc(-c3ccc(Cl)cc3)n2)cc(C(C)(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
SMPD1 P17405 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 2/20 0.39
BAP1 Q92560 1/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL4121750 0.80 NPC1 (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4126942 0.76 ALPL (0.42) MAPTRAB9ANPC1CYP1A2CYP2C19
SCHEMBL4134604 0.76 SLC6A3 (0.41) MAPTRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4128033 0.73 SLC6A3 (0.51) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL12171483 0.71 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11555371 0.71 SLC6A3 (0.64) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4123242 0.70 ALOX15 (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL4126263 0.69 MEN1 (0.43) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4126095 0.69 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4120806 0.69 POLQ (0.42) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 MAPT 3830/4885RAB9A 3343/4885NPC1 990/4885

“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.