SCHEMBL6415460

SCHEMBL6415460

O=CNc1cccc(N2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 1/20 0.48
ATM Q13315 1/20 0.47
USP2 O75604 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SCD O00767 2/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL6262316 0.83 TSHR (0.52) HCRTR1USP2HTTKMT2AMAPT
SCHEMBL6266820 0.82 ALDH1A1 (0.60) USP2HTTKMT2AMAPTMAPK1
SCHEMBL27653920 0.82 ATM (0.52) HCRTR1HCRTR2ATMUSP2KMT2A
SCHEMBL6419798 0.82 KMT2A (0.41) HCRTR1USP2HTTKMT2AMAPT
SCHEMBL6415168 0.81 LMNA (0.46) ATMHTTKMT2AMAPK1MEN1
SCHEMBL6263623 0.80 TSHR (0.53) HCRTR1HCRTR2ATMUSP2KMT2A
SCHEMBL6494948 0.80 FNTA (0.45) HCRTR1ATMUSP2HTTKMT2A
SCHEMBL20563461 0.79 HTT (0.52) HCRTR1USP2HTTKMT2AMAPT
SCHEMBL6416291 0.78 TSHR (0.50) HCRTR1USP2HTTKMT2AMAPT
SCHEMBL5790106 0.76 ALDH1A1 (0.46) HCRTR1HCRTR2USP2HTTKMT2A

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US claimed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT HCRTR1 3879/4885HCRTR2 3800/4885ATM 2401/4885

“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.