SCHEMBL2980233

SCHEMBL2980233

Cc1ccc(C(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
TP53 P04637 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
GPR84 Q9NQS5 1/20 0.69
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
IGF1R P08069 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MET P08581 1/20 0.63
PBRM1 Q86U86 1/20 0.60
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL3279652 0.86 GPR84 (0.79) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL29988308 0.86 GPR84 (0.79) SMN1; SMN2TP53NPSR1GPR84NPC1
Ethoxycarbonyl Group SCHEMBL27752355 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL6247701 0.85 GPR84 (0.71) SMN1; SMN2TP53NPSR1GPR84IGF1R
SCHEMBL6705760 0.84 GPR84 (0.69) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL27694373 0.84 GPR84 (0.69) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL9545117 0.84 GPR84 (0.69) SMN1; SMN2TP53NPSR1GPR84PBRM1
SCHEMBL21439506 0.83 TP53 (0.74) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL22462631 0.83 GPR84 (0.63) SMN1; SMN2TP53NPSR1GPR84NPC1
SCHEMBL8534922 0.83 SMN1; SMN2 (1.00) SMN1; SMN2TP53NPSR1GPR84NPC1

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-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 SMN1; SMN2 4117/4885TP53 4037/4885NPSR1 2441/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SMN1; SMN2 4286/4885TP53 4340/4885NPSR1 2806/4885

“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.