SCHEMBL948885

SCHEMBL948885

COC(=O)CCN1CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL17662280 0.98 KMT2A (0.48) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL10645521 0.95 KMT2A (0.54) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL2944803 0.84 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL5158837 0.83 TSHR (0.53) KMT2ASMN1; SMN2L3MBTL1TSHRPIK3CD
SCHEMBL11284225 0.83 ALDH1A1 (0.46) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL19513773 0.83 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL12717220 0.83 ALDH1A1 (0.46) KMT2ASMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL11280660 0.80 AOC3 (0.38) SMN1; SMN2TSHRRAB9AALDH1A1HSD17B10
SCHEMBL17662297 0.80 GLA (0.41) KMT2ASMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL17662302 0.80 GLA (0.48) KMT2ASMN1; SMN2RAB9APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201205-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-20180179231-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
WO-2016050355-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-5102890-A Anxiolytic agents RHONE-POULENC SANTE (FR) 1992-04-07 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 KMT2A 417/4885SMN1; SMN2 3368/4885L3MBTL1 2949/4885
US-20180179231-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 KMT2A 711/4885SMN1; SMN2 2411/4885L3MBTL1 356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KMT2A 491/4885SMN1; SMN2 3635/4885L3MBTL1 2955/4885

“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.