SCHEMBL6570728

SCHEMBL6570728

CC(O)(CC(=O)O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
BLM P54132 2/20 0.47
CYP2D6 P10635 1/20 0.47
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PGR P06401 1/20 0.41
THRB P10828 1/20 0.41
ADRB3 P13945 1/20 0.41
OPRK1 P41145 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5929556 1.00 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2CYP2C19HIF1ABLM
SCHEMBL20143336 0.88 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2BLMCYP2D6HDAC6
SCHEMBL745452 0.86 CYP2C19 (0.56) L3MBTL1SMN1; SMN2CYP2C19HIF1ABLM
SCHEMBL17743682 0.86 CYP2C19 (0.47) L3MBTL1SMN1; SMN2CYP2C19HIF1ABLM
SCHEMBL28291731 0.83 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2BLMCYP2D6HDAC6
SCHEMBL4491943 0.82 CETP (0.45) L3MBTL1SMN1; SMN2BLMCYP2D6HDAC6
SCHEMBL5929588 0.81 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CYP2C19HIF1ABLM
SCHEMBL28291723 0.81 LMNA (0.50) L3MBTL1SMN1; SMN2CYP2C19BLMCYP2D6
SCHEMBL28872854 0.81 CETP (0.47) L3MBTL1SMN1; SMN2LMNAPOLBTSHR
SCHEMBL21631937 0.80 CYP2C19 (0.50) L3MBTL1SMN1; SMN2CYP2C19HIF1ABLM

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
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US 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
US-20160222043-A1 METALLOINSERTOR CONJUGATES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-08-04 US disclosed
US-20160222043-A1 METALLOINSERTOR CONJUGATES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-08-04 US disclosed
EP-1489070-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-22 EP 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 L3MBTL1 8/4885SMN1; SMN2 285/4885CYP2C19 3050/4885

“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.