SCHEMBL12123749

SCHEMBL12123749

COC(=O)Nc1cc2cc(N)ccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
MAOA P21397 2/20 0.53
ACHE P22303 2/20 0.53
ADORA3 P0DMS8 1/20 0.51
MAPT P10636 4/20 0.50
F12 P00748 1/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
FLT3 P36888 1/20 0.49
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL12123750 0.87 MAOB (0.71) MAOBMAOAACHEADORA3MAPT
SCHEMBL3283803 0.86 KDM4E (0.67) MAOBMAOAACHEADORA3MAPT
SCHEMBL211674 0.73 FLT3 (0.67) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL11397132 0.72 MAPT (0.70) MAOBMAOAACHEMAPTKDM4E
SCHEMBL9911574 0.72 MAOB (0.49) MAOBMAOAACHEMAPTKDM4E
SCHEMBL11941127 0.72 MAOB (0.69) MAOBMAOAMAPTF12KDM4E
Hydrochloric Acid SCHEMBL6985335 0.72 FLT3 (0.65) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL7803332 0.71 TYR (0.59) MAOBMAOAACHEMAPTF12
SCHEMBL16284310 0.71 NPC1 (0.57) MAOBMAOAACHEADORA3MAPT
SCHEMBL11402397 0.70 MAPT (0.67) MAOBACHEMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A MAOB 52/4885MAOA 33/4885ACHE 185/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A MAOB 45/4885MAOA 27/4885ACHE 194/4885

“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.