SCHEMBL4849385

SCHEMBL4849385

Cn1nnnc1CNCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL4409003 0.79 CNR2 (0.49) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL15219430 0.75 LMNA (0.69) MAPTLMNAALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL15254011 0.73 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL10674476 0.72 DAGLA (0.40) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8843368 0.72 DAGLA (0.44) LMNAALDH1A1TP53POLBMEN1
SCHEMBL8843372 0.72 DAGLA (0.41) HDAC1HDAC6LMNAALDH1A1SMN1; SMN2
SCHEMBL3334525 0.72 SLC9A1 (0.68) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4842993 0.71 MEN1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2HTT
Benzene SCHEMBL11697595 0.71 MEN1 (0.78) MAPTMEN1KMT2ATDP1
SCHEMBL1654 0.71 MEN1 (0.78) MAPTMEN1KMT2ATDP1

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 HDAC1 403/4885HDAC6 267/4885MAPT 1509/4885

“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.