SCHEMBL3313893

SCHEMBL3313893

NCNC(=O)c1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL3316339 0.86 MAOB (0.51) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10716721 0.83 KDM4E (0.48) GAALMNAPOLBCYP1A2BLM
SCHEMBL3949281 0.83 SPHK2 (0.41) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL158021 0.82 GAA (0.41) GAASMN1; SMN2KMT2AHSD17B10LMNA
SCHEMBL29053200 0.81 HDAC1 (0.48) SMN1; SMN2NPC1RAB9A
SCHEMBL1415854 0.81 POLB (0.46) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1490709 0.79 L3MBTL1 (0.55) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6963777 0.79 CTSL (0.43) GAA
SCHEMBL29230045 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AKMT2ACYP1A2
SCHEMBL159472 0.78 KMT2A (0.63) GAASMN1; SMN2NPC1RAB9AKMT2A

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 claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
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 GAA 2702/4885SMN1; SMN2 1791/4885NPC1 975/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 GAA 2596/4885SMN1; SMN2 1812/4885NPC1 1059/4885

“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.