SCHEMBL2719218

SCHEMBL2719218

C=CCn1c(C(=O)c2ccc(C)cc2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 2/20 0.62
PPARG P37231 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 2/20 0.55
RECQL P46063 1/20 0.55
PPARA Q07869 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2719361 0.82 PPARG (0.53) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL3805118 0.81 RAB9A (0.60) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL14648292 0.80 RAB9A (0.55) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL30581235 0.77 KDM4E (1.00) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL29076101 0.77 KDM4E (1.00) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL2972386 0.76 NPC1 (0.54) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL31448481 0.74 KDM4E (0.70) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL2879788 0.74 KDM4E (0.66) NPC1RAB9ANPSR1KDM4ESMN1; SMN2
SCHEMBL2719970 0.74 KDM4E (0.64) NPC1RAB9ARXFP1NPSR1KDM4E
SCHEMBL8418773 0.74 ALDH1A1 (0.78) RAB9ANPSR1KDM4ESMN1; SMN2ALDH1A1

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
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 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 (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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 NPC1 476/4885RAB9A 2269/4885RXFP1 878/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 NPC1 476/4885RAB9A 2269/4885RXFP1 878/4885

“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.