SCHEMBL18361985

SCHEMBL18361985

NCc1cc(OCc2cccc(C(=O)NCc3ccccc3)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LOXL2 Q9Y4K0 7/20 0.54
TP53 P04637 1/20 0.53
LOX P28300 2/20 0.53
CFD P00746 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
Hydrochloric Acid SCHEMBL20337937 0.99 LOXL2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18362177 0.89 MMP13 (0.52) NPC1SMN1; SMN2ALDH1A1NPSR1HTT
Hydrochloric Acid SCHEMBL20337850 0.88 MMP13 (0.51) NPC1SMN1; SMN2ALDH1A1NPSR1HTT
SCHEMBL18361843 0.87 LOXL2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18361783 0.87 LOXL2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL20337972 0.86 LOXL2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18362036 0.86 LOXL2 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20337922 0.86 LOXL2 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18362182 0.85 LOXL2 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18361842 0.85 LOXL2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 2 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 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 (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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX NPC1 1843/4885RAB9A 4612/4885SMN1; SMN2 1966/4885

“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.