SCHEMBL4484238

SCHEMBL4484238

NN(C(=O)c1ccccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.48
GSK3B P49841 1/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
MITF O75030 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 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
SCHEMBL31006490 1.00 LMNA (0.55) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006499 0.87 NPC1 (0.48) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006477 0.87 TLR7 (0.51) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006495 0.87 KMT2A (0.47) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL2848952 0.85 LMNA (0.59) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006482 0.83 GRM4 (0.54) LMNAL3MBTL1CES2CES1ALDH1A1
SCHEMBL31006488 0.83 NPC1 (0.48) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL31006500 0.83 NPC1 (0.48) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL4656150 0.81 CES2 (0.59) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL18917080 0.81 CES2 (0.59) LMNAL3MBTL1NAPRTP4HTMCES2

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-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 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 (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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 LMNA 2940/4885L3MBTL1 1688/4885NAPRT 641/4885

“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.