SCHEMBL4846458

SCHEMBL4846458

CCOC(C)n1nnc(CNc2ccc(Cl)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 4/20 0.36
HSP90AA1 P07900 4/20 0.36
MAPK1 P28482 3/20 0.36
TP53 P04637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 2/20 0.35
GFER P55789 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LTA4H P09960 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL4022023 0.87 VCP (0.36) CNR2SMN1; SMN2RAB9ANPC1POLB
SCHEMBL4023150 0.75 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAHTTHSP90AA1
SCHEMBL11070949 0.64 EPHX1 (0.44) MAPTALDH1A1TP53CYP2C9CYP1A2
SCHEMBL4029331 0.62 GAA (0.46) MAPTALDH1A1HTTHSP90AA1MAPK1
SCHEMBL4846761 0.62 RAB9A (0.46) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL4024084 0.61 GAA (0.49) MAPTALDH1A1TP53GFERSMN1; SMN2
SCHEMBL5409817 0.61 MAPT (0.43) MAPTLMNACYP2C9CYP1A2CYP2C19
SCHEMBL4847217 0.60 NPC1 (0.44) HTTCYP2C9CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4023565 0.60 GAA (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4021927 0.60 LMNA (0.50) MAPTALDH1A1LMNAHTTHSP90AA1

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 MAPT 1509/4885ALDH1A1 430/4885LMNA 3619/4885

“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.