SCHEMBL4916668

SCHEMBL4916668

O=C(NCc1ccccc1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.72
ALDH1A1 P00352 1/20 0.72
HPGD P15428 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
BCAT1 P54687 1/20 0.59
ADAMTS4 O75173 2/20 0.58
ADAMTS5 Q9UNA0 2/20 0.58
MMP2 P08253 1/20 0.58
MMP3 P08254 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAM17 P78536 1/20 0.58
LMNA P02545 1/20 0.58
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57

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
SCHEMBL14270776 0.90 TP53 (0.60) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4927605 0.89 HDAC3 (0.59) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4925354 0.88 HDAC3 (0.69) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4927460 0.87 HDAC3 (0.67) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4927113 0.87 HDAC3 (0.64) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL14270792 0.87 HDAC3 (0.61) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4929525 0.86 RAB9A (0.57) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL4929544 0.86 HDAC3 (0.58) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL25002620 0.85 HDAC2 (0.62) TP53ALDH1A1HPGDSMN1; SMN2HDAC3
SCHEMBL14270767 0.85 HDAC3 (0.65) TP53ALDH1A1HPGDSMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 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-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 TP53 4191/4885ALDH1A1 2549/4885HPGD 4099/4885

“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.