SCHEMBL3218355

SCHEMBL3218355

O=C(NCC1CC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.74
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
HSPB1 P04792 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK11 Q15759 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL13423686 0.92 MAPK14 (0.64) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL5631549 0.85 MAPK14 (1.00) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL3207784 0.83 KDM4E (0.68) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL775098 0.83 HPGD (0.63) MAPK14CYP2C9MEN1KMT2A
SCHEMBL775213 0.81 GRN (0.59) MAPK14CYP2C9MEN1KMT2A
SCHEMBL3222628 0.81 MAPK14 (0.51) MAPK14
SCHEMBL3200151 0.81 NPC1 (0.68) MAPK14HSPB1CYP2C9MAPK11MEN1
SCHEMBL3212441 0.80 CHRM1 (0.61) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL3224598 0.80 ALDH1A1 (0.51) MAPK14HDAC1HDAC8HDAC6CYP2C9
SCHEMBL31331640 0.80 MEN1 (0.71) MAPK14HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
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

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 2472/4885HDAC3 990/4885HDAC4 436/4885

“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.