SCHEMBL3317398

SCHEMBL3317398

Cc1ccc(C(=O)NC2CC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPT P10636 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
EPHX1 P07099 1/20 0.61
MAPK11 Q15759 5/20 0.58
MAPK14 Q16539 5/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL3314095 0.90 MAPK11 (0.57) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL241982 0.88 HDAC1 (0.68) MAPK11MAPK14HDAC1HDAC8HDAC6
SCHEMBL6248871 0.86 ALDH1A1 (0.88) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3314064 0.83 MAPK14 (0.61) MEN1KMT2AMAPK11MAPK14
SCHEMBL3314897 0.81 ALDH1A1 (0.67) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL5713568 0.80 ALDH1A1 (0.78) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8612483 0.79 EPHX1 (0.77) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL14906958 0.79 ALDH1A1 (0.74) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL12676759 0.79 MAPK11 (0.65) MAPK11MAPK14
SCHEMBL10090842 0.78 MAPK11 (0.57) MAPK11MAPK14HDAC1HDAC8HDAC6

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-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
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 NPC1 975/4885RAB9A 1215/4885ALDH1A1 3347/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 NPC1 1059/4885RAB9A 1402/4885ALDH1A1 3687/4885

“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.