SCHEMBL2719683

SCHEMBL2719683

C=CCn1cc(-c2ccccc2)nc1C(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRM5 P41594 1/20 0.40
TP53 P04637 3/20 0.39
SRC P12931 1/20 0.39
ALDH1A3 P47895 2/20 0.39
SLC2A1 P11166 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL10151398 0.74 PPARG (0.47) TMIGD3GRM5
SCHEMBL13994568 0.74 PPARG (0.39) TMIGD3NPSR1NPC1RAB9ATP53
SCHEMBL2719159 0.74 GRM5 (0.39) GRM5
SCHEMBL2719494 0.72 PPARG (0.51) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL2719218 0.72 NPC1 (0.67) NPSR1NPC1RAB9ARXFP1ALDH1A1
SCHEMBL2966921 0.70 TP53 (0.59) RXFP1TP53SMN1; SMN2KMT2ATHRB
SCHEMBL2717941 0.70 STIM1 (0.42) RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL2401146 0.69 PPARG (0.52) NPC1RAB9ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL13994536 0.68 CCNA2 (0.37) NPC1RAB9ARXFP1TP53ALDH1A1
SCHEMBL2719970 0.67 KDM4E (0.64) NPSR1NPC1RAB9ARXFP1TP53

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
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
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-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 TMIGD3 2493/4885NPSR1 1208/4885NPC1 476/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 TMIGD3 2493/4885NPSR1 1208/4885NPC1 476/4885

“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.