SCHEMBL3040194

SCHEMBL3040194

O=C(NC1CCCC1)c1cccc(B(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GFER P55789 1/20 0.58
PKM P14618 1/20 0.58
GRM5 P41594 2/20 0.57
KDM1A O60341 1/20 0.57
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.54
HTR2B P41595 1/20 0.54
ERN1 O75460 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL15535810 0.98 RAB9A (0.65) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL148956 0.94 NPC1 (0.56) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29953351 0.88 NPC1 (0.51) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL20850172 0.86 NPC1 (0.58) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL18579817 0.85 KMT2A (0.50) L3MBTL1RAB9ANPC1HTTALDH1A1
SCHEMBL9265040 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL6707186 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL21953980 0.82 KDM1A (0.51) L3MBTL1RAB9ANPC1GRM5KDM1A
SCHEMBL2559523 0.82 HRH3 (0.54) RAB9ANPC1ALDH1A1
SCHEMBL384423 0.81 NPC1 (0.63) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20200131139-A1 SMALL MOLECULE INHIBITORS OF BCL-2- ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION BANGALORE UNIVERSITY (IN) 2020-04-30 US disclosed
WO-2018194520-A9 SMALL MOLECULE INHIBITORS OF BCL-2-ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-10-17 WO disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (3 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 L3MBTL1 4518/4885RAB9A 2122/4885NPC1 4032/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 L3MBTL1 4518/4885RAB9A 2122/4885NPC1 4032/4885
US-20200131139-A1 SMALL MOLECULE INHIBITORS OF BCL-2- ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION BAD, BCL2, BCL2A1 L3MBTL1 532/4885RAB9A 2687/4885NPC1 4473/4885

“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.