SCHEMBL13423686

SCHEMBL13423686

O=C(NCC1CCNCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.64
CHRM1 P11229 13/20 0.62
CHRM3 P20309 3/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
CHRM5 P08912 1/20 0.56
SMYD3 Q9H7B4 1/20 0.53
PPARG P37231 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL3218355 0.92 MAPK14 (0.74) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL3212441 0.88 CHRM1 (0.61) MAPK14CHRM1CHRM3CHRM2CHRM4
SCHEMBL3222814 0.83 MAPK14 (0.58) MAPK14CHRM1CHRM3SMYD3PPARG
SCHEMBL3207784 0.78 KDM4E (0.68) MAPK14CHRM4HDAC3HDAC4HDAC1
SCHEMBL775098 0.78 HPGD (0.63) MAPK14
SCHEMBL5631549 0.78 MAPK14 (1.00) MAPK14
SCHEMBL3330915 0.78 SMN1; SMN2 (0.56) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL10078319 0.76 HTR4 (0.60) MAPK14CHRM1CHRM3CHRM2CHRM4
SCHEMBL3222628 0.76 MAPK14 (0.51) MAPK14
SCHEMBL10144838 0.76 HDAC3 (0.67) CHRM1SMYD3HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B MAPK14 2472/4885CHRM1 4884/4885CHRM3 4883/4885

“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.