SCHEMBL3277732

SCHEMBL3277732

Nc1ccc2oc(=O)c(N)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 1/20 0.63
NPC1 O15118 3/20 0.60
FLT3 P36888 1/20 0.56
CA2 P00918 4/20 0.53
DRD2 P14416 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 4/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ACHE P22303 1/20 0.45
F12 P00748 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40

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
SCHEMBL16085333 0.84 SMN1; SMN2 (0.63) SMN1; SMN2POLBNPC1FLT3CA2
SCHEMBL11828796 0.81 MAOB (0.65) SMN1; SMN2POLBCA2MAOAMAOB
SCHEMBL11831412 0.81 CA12 (0.61) SMN1; SMN2POLBNPC1CA2MAOB
SCHEMBL28212088 0.81 NPC1 (0.57) SMN1; SMN2POLBNPC1FLT3CA2
SCHEMBL11578348 0.81 MAOB (0.68) SMN1; SMN2POLBNPC1CA2MAOB
SCHEMBL7803332 0.81 TYR (0.59) SMN1; SMN2NPC1FLT3CA2DRD2
SCHEMBL16284310 0.81 NPC1 (0.57) SMN1; SMN2POLBNPC1FLT3CA2
SCHEMBL9479876 0.81 NPC1 (0.57) SMN1; SMN2POLBNPC1FLT3CA2
SCHEMBL30550392 0.81 MAOB (0.68) SMN1; SMN2POLBNPC1CA2MAOB
SCHEMBL30550429 0.79 MAOB (0.66) SMN1; SMN2POLBNPC1CA2MAOB

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 18 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
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-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US 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
US-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo UNIVERSITY OF OTTAWA (CA) 2006-07-06 US disclosed
EP-0816353-B1 New coumarin derivatives, processes for the preparation thereof and their use PLIVA PHARM & CHEM WORKS (HR) 2001-12-19 EP disclosed
US-5840922-A Coumarin derivatives, and processes for their preparation PLIVA, FARMACEUTSKA, KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 1998-11-24 US disclosed
EP-0816353-A2 New coumarin derivatives, processes for the preparation thereof and their use PLIVA farmaceutska, kemijska, prehrambena i kozmeticka industrija, dionicko drustvo (HR) 1998-01-07 EP disclosed
EP-0553248-A1 NOVEL 5-IODO-6-AMINO-1,2-BENZOPYRONES AND THEIR ANALOGS USEFUL AS CYTOSTATIC AND ANTIVIRAL AGENTS. UNIV CALIFORNIA (US) 1993-08-04 EP disclosed
WO-1992006687-A1 NOVEL 5-IODO-6-AMINO-1,2-BENZOPYRONES AND THEIR ANALOGS USEFUL AS CYTOSTATIC AND ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-04-30 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 (3 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 SMN1; SMN2 1396/4885POLB 4047/4885NPC1 1700/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A SMN1; SMN2 1189/4885POLB 3691/4885NPC1 1674/4885
US-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo QPCTL, MRPL21, STAMBP SMN1; SMN2 4639/4885POLB 3631/4885NPC1 4005/4885

“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.