SCHEMBL2821115

SCHEMBL2821115

CCCCc1cnc(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 2/20 0.51
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
QPCT Q16769 1/20 0.45
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGDS O60760 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SPHK1 Q9NYA1 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
SCHEMBL12844399 0.90 CYP11B1 (0.54) HDAC1HDAC2CYP11B1CYP11B2CCNE1
SCHEMBL2821094 0.84 CYP2D6 (0.49) HDAC1HDAC2CYP11B1CYP11B2ALDH1A1
SCHEMBL8570310 0.83 HDAC1 (0.56) HDAC1HDAC2CYP11B1CYP11B2CCNE1
SCHEMBL2226543 0.83 HDAC1 (0.52) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL153089 0.82 CYP11B1 (0.56) HDAC1HDAC2CYP11B1CYP11B2CCNE1
SCHEMBL8911377 0.82 HDAC1 (0.55) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL8971551 0.82 HDAC1 (0.55) HDAC1HDAC2CYP11B1CYP11B2CCNE1
SCHEMBL7104503 0.81 CYP11B1 (0.51) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL27992982 0.79 CYP11B1 (0.50) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL2226354 0.79 CYP11B1 (0.53) HDAC1HDAC2CYP11B1CYP11B2QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 HDAC1 883/4885HDAC2 625/4885CYP11B1 1485/4885

“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.