SCHEMBL4844625

SCHEMBL4844625

CC(Nc1ccc(F)cc1)c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.38
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HTR7 P34969 1/20 0.32
DHODH Q02127 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4021932 0.83 MEN1 (0.44) KCNH3MEN1KMT2AMAPTKDM4E
SCHEMBL12892188 0.69 PTGDR2 (0.37) POLBMAPK1
SCHEMBL177221 0.67 KCNH3 (0.57) KCNH3CA12MMP2MEN1KMT2A
SCHEMBL15592767 0.66 PARP1 (0.30)
SCHEMBL15003944 0.66 ALDH1A1 (0.62) KCNH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL7348000 0.66 ALDH1A1 (0.62) KCNH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL6000027 0.66 KDM4E (0.73) KCNH3MEN1KMT2AMAPTKDM4E
SCHEMBL20491110 0.64 HDAC6 (0.57) HDAC6
SCHEMBL5643581 0.64 TRPA1 (0.43) MAPTALDH1A1MAPK1
SCHEMBL6128263 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNH3 1307/4885CA12 3247/4885MMP2 1561/4885

“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.