SCHEMBL4789499

SCHEMBL4789499

C=CCC(C)(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.46
AHR P35869 2/20 0.37
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTBP1 P26599 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM3 P20309 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BLM P54132 1/20 0.35
CYP2D6 P10635 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL16132504 0.83 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MAPTAHRCHRM2
SCHEMBL3299722 0.82 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTCHRM2ALDH1A1
SCHEMBL21742045 0.80 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MAPTAHRCHRM2
SCHEMBL21742319 0.79 CHRM2 (0.43) SMN1; SMN2L3MBTL1MAPTCHRM2ALDH1A1
SCHEMBL21742149 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MAPTAHRCHRM2
SCHEMBL23364963 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL12717402 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL29828412 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL30471943 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL26835113 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1

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
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed
US-20160222043-A1 METALLOINSERTOR CONJUGATES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-08-04 US disclosed
WO-2008075380-A2 PROCESS FOR THE PREPARATION OF THIAZOLIDINE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2008-06-26 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-20160222043-A1 METALLOINSERTOR CONJUGATES MSH2, MSH6, LIG1 SMN1; SMN2 285/4885L3MBTL1 8/4885MAPT 3668/4885

“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.