SCHEMBL4842993

SCHEMBL4842993

Cn1nnc(CNCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XBP1 P17861 1/20 0.42
TACR1 P25103 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
MAOA P21397 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL4406015 0.80 CNR2 (0.50) GAAALDH1A1POLB
SCHEMBL9111574 0.78 S1PR2 (0.48) MEN1KMT2A
SCHEMBL8811272 0.77 RAB9A (0.44) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5670097 0.77 ALDH1A1 (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL4847217 0.77 NPC1 (0.44) MEN1KMT2AHTTSMN1; SMN2TACR1
SCHEMBL8843351 0.74 POLB (0.44) MAPTGAAALDH1A1TACR1POLB
SCHEMBL4028864 0.74 SMN1; SMN2 (0.37) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL8844304 0.73 DAGLA (0.41) TDP1GAAALDH1A1SMN1; SMN2TACR1
Hydrochloric Acid SCHEMBL15254083 0.72 POLB (0.36) SMN1; SMN2POLB
SCHEMBL5799878 0.72 MEN1 (0.78) MEN1KMT2ATDP1MAPTGAA

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
CN-100503602-C Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO LTD (KR) 2009-06-24 CN disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
CN-1646524-A Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO LTD (KR) 2005-07-27 CN 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 MEN1 3601/4885KMT2A 1636/4885TDP1 1938/4885

“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.