SCHEMBL6493544

SCHEMBL6493544

N#Cc1cccc(N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.58
FNTB P49356 2/20 0.58
NOTUM Q6P988 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
SMO Q99835 1/20 0.45
CHRM4 P08173 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MLYCD O95822 1/20 0.44
SLC2A1 P11166 1/20 0.44
SLC2A2 P11168 1/20 0.44
SLC2A3 P11169 1/20 0.44
NAMPT P43490 1/20 0.43
SLC6A7 Q99884 1/20 0.43
PHGDH O43175 1/20 0.42
C1S P09871 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
SCHEMBL5764010 0.84 FNTA (0.59) FNTAFNTBUSP2LMNAMAPT
SCHEMBL6494948 0.81 FNTA (0.45) FNTAFNTBUSP2LMNAMAPT
SCHEMBL6503020 0.78 GPBAR1 (0.58) LMNAMAPTNAMPTGPBAR1
SCHEMBL6262762 0.77 TSHR (0.54) FNTAFNTBNOTUMDRD2DRD3
SCHEMBL5763718 0.77 DRD2 (0.60) NOTUMDRD2DRD3CHRM4USP2
Hydrochloric Acid SCHEMBL6501843 0.77 GPBAR1 (0.57) LMNAMAPTNAMPTGPBAR1
SCHEMBL1870287 0.75 CHRM4 (0.48) FNTAFNTBNOTUMDRD2SMO
SCHEMBL1870286 0.74 ALDH1A1 (0.47) FNTAFNTBNOTUMDRD2SMO
SCHEMBL19049593 0.73 DRD2 (0.59) NOTUMDRD2DRD3CHRM4LMNA
SCHEMBL3834457 0.72 CYP11B1 (0.52) FNTAFNTBNOTUMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (1 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC FNTA 1250/4885FNTB 1136/4885NOTUM 3896/4885

“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.