SCHEMBL7899508

SCHEMBL7899508

NCCc1nc2cccc(Cl)c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
TAAR1 Q96RJ0 4/20 0.44
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
HTR2A P28223 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ELANE P08246 1/20 0.36
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36

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
SCHEMBL27731934 0.83 PSMB8 (0.49) LOXL2PSMB8PSMB5NPC1MAPT
SCHEMBL9846100 0.81 PSMB8 (0.53) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL102232 0.81 PSMB8 (0.50) LOXL2PSMB8PSMB5NPC1MAPT
SCHEMBL3613930 0.79 ELANE (0.51) PSMB8PSMB5NPC1MAPTRAB9A
SCHEMBL20964583 0.75 ELANE (0.55) PSMB8PSMB5MAPTALDH1A1ELANE
SCHEMBL2032791 0.75 MAPT (0.40) LOXL2PSMB8PSMB5TAAR1NPC1
SCHEMBL10991077 0.73 PSMB8 (0.56) PSMB8PSMB5MAPTALDH1A1ELANE
SCHEMBL5043562 0.73 PSMB8 (0.56) PSMB8PSMB5NPC1RAB9ASMN1; SMN2
SCHEMBL3954800 0.72 PSMB8 (0.59) PSMB8PSMB5NPC1RAB9ASMN1; SMN2
SCHEMBL4482992 0.72 LOXL2 (1.00) LOXL2PSMB8NPC1MAPTRAB9A

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 LOXL2 4378/4885PSMB8 233/4885PSMB5 115/4885

“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.