SCHEMBL19952799

SCHEMBL19952799

NCc1cc(OCc2cccc(C(=O)NC(CO)c3ccccc3)c2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.52
ROCK2 O75116 4/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
MAPK13 O15264 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL18361845 1.00 LOXL2 (0.52) LOXL2ROCK2CYP4F2CYP4A11MAPK13
Hydrochloric Acid SCHEMBL20337984 0.99 LOXL2 (0.53) LOXL2ROCK2CYP4F2CYP4A11MAPK13
Hydrochloric Acid SCHEMBL20337982 0.99 LOXL2 (0.53) LOXL2ROCK2CYP4F2CYP4A11MAPK13
SCHEMBL18361817 0.85 LOXL2 (0.62) LOXL2ROCK2MAPK13RPS6KA5MAP4K4
SCHEMBL19952896 0.85 LOXL2 (0.62) LOXL2ROCK2MAPK13RPS6KA5MAP4K4
Hydrochloric Acid SCHEMBL20337931 0.85 LOXL2 (0.64) LOXL2ROCK2
Hydrochloric Acid SCHEMBL20337930 0.85 LOXL2 (0.64) LOXL2ROCK2
SCHEMBL18361985 0.82 NPC1 (0.56) LOXL2
SCHEMBL18361783 0.82 LOXL2 (0.64) LOXL2RPS6KB1
Hydrochloric Acid SCHEMBL20337922 0.81 LOXL2 (0.66) LOXL2RPS6KB1

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 5 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
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 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 1/4885ROCK2 937/4885CYP4F2 630/4885
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 LOXL2 1/4885ROCK2 1098/4885CYP4F2 281/4885

“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.