SCHEMBL4847217

SCHEMBL4847217

Cn1nnc(CNc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
TACR1 P25103 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.39
VCP P55072 1/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 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
SCHEMBL4029331 0.84 GAA (0.46) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL4846761 0.84 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL4023150 0.83 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MEN1CYP1A2
SCHEMBL4023565 0.81 GAA (0.49) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4024084 0.80 GAA (0.49) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4026774 0.79 TACR1 (0.46) TACR1HTT
SCHEMBL4020612 0.77 EPHB3 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4024101 0.77 MAPT (0.49) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL4030229 0.76 HTT (0.47) RAB9ASMN1; SMN2POLBTACR1MEN1
SCHEMBL4025069 0.75 EGFR (0.53) NPC1RAB9ASMN1; SMN2POLBMEN1

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 NPC1 4652/4885RAB9A 3022/4885SMN1; SMN2 2124/4885

“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.