SCHEMBL646047

SCHEMBL646047

NOCc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.59
TAAR1 Q96RJ0 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
AGXT P21549 4/20 0.48
CYP3A4 P08684 2/20 0.48
DPP4 P27487 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
Hydrochloric Acid SCHEMBL1715066 0.98 IDO1 (0.61) IDO1TAAR1SMN1; SMN2AGXTCYP3A4
SCHEMBL1520774 0.85 TAAR1 (0.60) IDO1TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL1382024 0.83 TAAR1 (0.58) IDO1TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL1715797 0.83 TAAR1 (0.58) IDO1TAAR1SMN1; SMN2
SCHEMBL865249 0.79 SMN1; SMN2 (0.52) IDO1TAAR1SMN1; SMN2DPP4
SCHEMBL19055351 0.75 SMN1; SMN2 (0.48) IDO1TAAR1SMN1; SMN2DPP4
SCHEMBL4796828 0.75 SMN1; SMN2 (0.48) IDO1TAAR1SMN1; SMN2DPP4
SCHEMBL13108637 0.75 SMN1; SMN2 (0.48) IDO1TAAR1SMN1; SMN2DPP4
SCHEMBL4796836 0.75 SMN1; SMN2 (0.48) IDO1TAAR1SMN1; SMN2DPP4
SCHEMBL9366433 0.73 IDO1 (1.00) IDO1TAAR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
EP-0113092-B1 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(4-(OXOALKYL)-1-PIPERAZINYL)-3-QUINOLINE-CARBOXYLIC ACIDS AND THEIR DERIVATIVES, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1986-05-21 EP disclosed
US-4547503-A 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-(oxo-alkyl)-1-piperazinyl]quinoline-3-carboxylic acids and their derivatives, and antibacterial agents containing them BAYER AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed
EP-0113092-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-(oxoalkyl)-1-piperazinyl)-3-quinoline-carboxylic acids and their derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-07-11 EP disclosed
EP-0015456-B1 OMEGA-HALOGENO-ACETOPHENONE OXIME ETHERS, PREPARATION THEREOF AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF OMEGA-AZOLYL-ACETOPHENONE OXIME ETHERS BAYER AG (DE) 1981-12-02 EP disclosed
US-4293715-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
EP-0002450-B1 1-N-SUBSTITUTED-4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINO-CYCLITOL DERIVATIVES, PROCESS FOR PREPARING THEM AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-05-20 EP disclosed
US-4234572-A AMINOGLYCOSIDE ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed
EP-0002450-A1 1-N-substituted-4,6-di-O-(aminoglycosyl)-1,3-diamino-cyclitol derivatives, process for preparing them and medicaments containing them BAYER AG (DE) 1979-06-27 EP 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 (5 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B IDO1 119/4885TAAR1 4821/4885SMN1; SMN2 2804/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B IDO1 119/4885TAAR1 4821/4885SMN1; SMN2 2804/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 IDO1 125/4885TAAR1 4830/4885SMN1; SMN2 2598/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 IDO1 113/4885TAAR1 4820/4885SMN1; SMN2 2615/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B IDO1 95/4885TAAR1 4846/4885SMN1; SMN2 2498/4885

“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.