SCHEMBL18361968

SCHEMBL18361968

NCc1cc(OCc2cccc(C(=O)NCc3cc4cccnc4[nH]3)c2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.44
LOX P28300 4/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
Hydrochloric Acid SCHEMBL20337882 0.99 LOXL2 (0.45) LOXL2LOXNPC1RAB9ASMN1; SMN2
SCHEMBL18361842 0.89 LOXL2 (0.44) LOXL2LOXNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL20337883 0.88 LOXL2 (0.46) LOXL2LOXNPC1RAB9ASMN1; SMN2
SCHEMBL18362145 0.87 LOXL2 (0.60) LOXL2LOX
Hydrochloric Acid SCHEMBL20337926 0.86 LOXL2 (0.61) LOXL2LOX
SCHEMBL18362011 0.84 LOXL2 (0.42) LOXL2LOXNPC1RAB9ASMN1; SMN2
SCHEMBL18362177 0.83 MMP13 (0.52) LOXL2NPC1SMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL20337891 0.83 LOXL2 (0.43) LOXL2LOXNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL20337850 0.83 MMP13 (0.51) LOXL2LOXNPC1SMN1; SMN2HTT
SCHEMBL18361985 0.82 NPC1 (0.56) LOXL2LOXNPC1RAB9ASMN1; SMN2

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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US claimed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 EP disclosed
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 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 (2 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX LOXL2 1/4885LOX 3/4885NPC1 1843/4885
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 LOXL2 1/4885LOX 5/4885NPC1 4343/4885

“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.