SCHEMBL3604520

SCHEMBL3604520

c1cc2c(cc1NC1CC1)OCO2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 7/20 0.53
RAB9A P51151 7/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 3/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.50
ULK1 O75385 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL20789009 0.93 NPC1 (0.55) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL20788996 0.93 ULK1 (0.52) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL23873646 0.91 NPC1 (0.57) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL6393394 0.88 MAPT (0.52) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL15702620 0.86 TRPV6 (0.47) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
Maleic Acid SCHEMBL20788978 0.80 NPC1 (0.56) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL378949 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL9460468 0.77 SMN1; SMN2 (0.53) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL4240613 0.76 UBE2M (0.46) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1920755 0.75 NPC1 (0.60) SMN1; SMN2NPC1MAPTRAB9AALDH1A1

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 SMN1; SMN2 2617/4885NPC1 1606/4885MAPT 1863/4885

“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.