SCHEMBL5483346

SCHEMBL5483346

Clc1cccc(-c2cc(C3CCCN3)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR7 P34969 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2896704 0.96 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2899002 0.96 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL4082606 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL3975733 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL16464581 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL2899343 0.85 RPS6KB1 (0.42) ALDH1A1HTR7NR1H4
SCHEMBL8226952 0.85 NR1H4 (0.39) NR1H4
SCHEMBL2899344 0.85 RPS6KB1 (0.42) ALDH1A1HTR7NR1H4
SCHEMBL2898404 0.85 CASP3 (0.41) HTR7NR1H4
SCHEMBL2898408 0.85 CASP3 (0.41) HTR7NR1H4

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-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (2 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 RAB9A 3419/4885NPC1 2424/4885SMN1; SMN2 3066/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 RAB9A 3443/4885NPC1 2449/4885SMN1; SMN2 3354/4885

“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.