SCHEMBL3314906

SCHEMBL3314906

CONC(=O)c1ccc(C)c(N(S)C(=O)NC(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL3317403 0.81 NPC1 (0.48) NPC1RAB9AKMT2AMAPK14SMN1; SMN2
SCHEMBL6809743 0.74 KMT2A (0.55) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL810200 0.72 ALDH1A1 (0.61) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL3314897 0.72 ALDH1A1 (0.67) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL10691288 0.71 EPHX1 (0.45) NPC1RAB9AKMT2AL3MBTL1ALDH1A1
Fluoride SCHEMBL27455549 0.71 ALDH1A1 (0.59) HDAC1HDAC8HDAC6NPC1RAB9A
Hydrochloric Acid SCHEMBL28193464 0.71 ALDH1A1 (0.59) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL649380 0.70 MAPT (0.61) HDAC1HDAC8HDAC6L3MBTL1MAPK14
SCHEMBL12764358 0.70 TAS1R3 (0.55) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL13495910 0.69 MAPK14 (0.43) HDAC1HDAC8HDAC6NPC1RAB9A

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-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (2 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 HDAC1 351/4885HDAC8 70/4885HDAC6 163/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 HDAC1 469/4885HDAC8 71/4885HDAC6 227/4885

“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.