SCHEMBL6837102

SCHEMBL6837102

C=Cc1nn(Cc2ccc(OC)cc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
CHRM1 P11229 2/20 0.45
MEN1 O00255 3/20 0.43
CACNA1G O43497 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNA1I Q9P0X4 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HDAC1 Q13547 1/20 0.40
ATM Q13315 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
FABP4 P15090 1/20 0.39
SNCA P37840 1/20 0.39
CMA1 P23946 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
SCHEMBL15182579 0.90 KMT2A (0.43) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL6837278 0.86 MAPT (0.43) KMT2AMEN1USP2TP53AADAT
SCHEMBL6837326 0.85 KMT2A (0.40) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL369366 0.85 CACNA1G (0.40) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL368958 0.83 HDAC1 (0.40) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL370507 0.82 KMT2A (0.53) KMT2ACHRM1MEN1CACNA1GCACNA1H
SCHEMBL370508 0.82 KMT2A (0.53) KMT2ACHRM1MEN1CACNA1GCACNA1H
SCHEMBL25205458 0.82 KMT2A (0.55) KMT2ACHRM1MEN1CACNA1GCACNA1H
SCHEMBL1047554 0.82 KMT2A (0.55) KMT2ACHRM1MEN1CACNA1GCACNA1H
SCHEMBL370237 0.81 KMT2A (0.47) KMT2ACHRM1MEN1CACNA1GCACNA1H

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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 KMT2A 701/4885CHRM1 56/4885MEN1 3079/4885

“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.