SCHEMBL1422528

SCHEMBL1422528

c1ccc(COc2ccc3cc(-c4ccc(-n5cncn5)nc4)[nH]c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PIM1 P11309 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PRMT5 O14744 7/20 0.39
IDO1 P14902 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
FLT3 P36888 1/20 0.39
CDC7 O00311 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
ALOX5 P09917 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL1484213 0.84 MAPT (0.37) PIM1LMNAMAPT
SCHEMBL12829963 0.84 CYP2D6 (0.47) RAB9ASMN1; SMN2PIM1LMNAMAPT
SCHEMBL1422576 0.84 MAPT (0.41) NPC1RAB9ASMN1; SMN2PIM1MAPT
SCHEMBL1423047 0.83 CYP1A2 (0.37) SMN1; SMN2PIM1LMNAMAPT
SCHEMBL1484244 0.83 CYP19A1 (0.43) NTRK1PIM1PRMT5FLT3CDC7
SCHEMBL1484056 0.79 PRMT5 (0.58) NTRK1PRMT5ACHEMAOBFGFR3
SCHEMBL20590806 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PIM1TP53
SCHEMBL1424267 0.78 PIM1 (0.39) PIM1MAPTIDO1
SCHEMBL1483695 0.78 KDM4E (0.40) NPC1RAB9ASMN1; SMN2PIM1LMNA
SCHEMBL1484242 0.78 ALOX5 (0.46) PRMT5FLT3CDC7ACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
EP-2296474-A1 NOVEL SUBSTITUTED INDOLES Merck Sharp & Dohme Corp. (US) 2011-03-23 EP disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 NTRK1 440/4885NPC1 228/4885RAB9A 3462/4885

“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.