SCHEMBL5025403

SCHEMBL5025403

O=C(NOCc1c(Cl)cncc1Cl)c1cccc2oc3ccc(I)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAP2K1 Q02750 4/20 0.34
PDE4D Q08499 1/20 0.33
TTR P02766 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
PDE4B Q07343 2/20 0.32
GRK2 P25098 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL5025239 0.90 NPC1 (0.42) NPC1RAB9APDE4DTTRLMNA
SCHEMBL5547458 0.88 NPC1 (0.36) NPC1RAB9APDE4DLMNA
SCHEMBL5018010 0.83 MAP2K1 (0.37) NPC1RAB9AMAP2K1LMNAHTT
SCHEMBL5025324 0.82 GAA (0.39) NPC1RAB9AMAP2K1
SCHEMBL4035701 0.80 LMNA (0.37) NPC1RAB9APDE4DLMNAHTT
SCHEMBL6533419 0.72 BTK (0.38) NPC1RAB9AITGB1ITGA4SGMS2
SCHEMBL5023305 0.71 GSTP1 (0.37) NPC1RAB9APDE4BLMNAHTT
SCHEMBL5016524 0.71 TDP1 (0.43) NPC1RAB9ALMNAHTT
SCHEMBL6532850 0.71 MEN1 (0.39) NPC1RAB9AITGB1ITGA4SGMS2
SCHEMBL5018082 0.71 NPC1 (0.44) NPC1RAB9AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 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 (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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 NPC1 853/4885RAB9A 3448/4885MAP2K1 3755/4885

“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.