SCHEMBL524926

SCHEMBL524926

[CH](c1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
KDM4E B2RXH2 7/20 0.61
LMNA P02545 6/20 0.61
PKM P14618 2/20 0.61
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ECE2 P0DPD6 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL7369917 0.87 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.85 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL7972065 0.84 RAB9A (0.47) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL108424 0.81 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL1163115 0.81 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL230838 0.81 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL4068608 0.81 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL8414907 0.81 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL1163637 0.81 NPC1 (0.62) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL267838 0.81 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM

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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 US 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-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP RAB9A 2409/4885NPC1 4377/4885KDM4E 2238/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 RAB9A 3465/4885NPC1 2884/4885KDM4E 3001/4885

“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.