SCHEMBL441586

SCHEMBL441586

CCCc1cc(N)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
NCF1 P14598 1/20 0.56
ACHE P22303 1/20 0.54
MCHR1 Q99705 9/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
HSP90AB1 P08238 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ASIC3 Q9UHC3 1/20 0.44

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
SCHEMBL28014894 0.90 NCF1 (0.53) KDM4ENCF1ACHEMCHR1ALDH1A1
SCHEMBL23044015 0.89 TLR8 (0.52) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL28521004 0.87 TLR8 (0.53) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL28514975 0.87 TLR8 (0.53) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL9709703 0.86 NCF1 (0.59) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL8912375 0.86 ACHE (0.58) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL8907365 0.86 ACHE (0.58) KDM4ENCF1ACHEMCHR1ALDH1A1
SCHEMBL8907361 0.84 ACHE (0.56) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL8908598 0.84 ACHE (0.56) KDM4ENCF1ACHEALDH1A1HPGD
SCHEMBL8907350 0.84 ACHE (0.56) KDM4ENCF1ACHEALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
US-20090069338-A1 Method for predicting skin sensitizing activity of compounds DICKSON JR JOHN K 2009-03-12 US disclosed
US-7452887-B2 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AMPHORA DISCOVERY CORPORATION (US) 2008-11-18 US disclosed
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AGRIUS GROUP, LLC. 2006-01-12 US disclosed
US-5182275-A Intermediates for memory enhancers HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-26 US disclosed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed
US-4942168-A INTERMEDIATES FOR 1,2-DIHYDRO-3-METHYL-3H-1,4-OXAZINO 2,3-C!QU INOLINE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-07-17 US disclosed
EP-0299345-A2 Dihydro-1,4-oxazino(2,3-c)quinolines, a process and intermediates for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-18 EP disclosed
US-4743601-A MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-10 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-20090069338-A1 Method for predicting skin sensitizing activity of compounds ATP5ME, ABCG2, ATP5MG KDM4E 3248/4885NCF1 672/4885ACHE 31/4885
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 3040/4885NCF1 2180/4885ACHE 12/4885

“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.