SCHEMBL6472247

SCHEMBL6472247

Cc1cc2ccccc2nc1C1CCCCC1(N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
PTPRA P18433 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
BACE1 P56817 2/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IKBKB O14920 1/20 0.35
FGB P02675 1/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6472239 0.72 RXFP1 (0.43) ALDH1A1RXFP1GAALMNASMN1; SMN2
SCHEMBL6472296 0.71 HSD11B1 (0.44) ALDH1A1HPGDTSHRKMT2A
SCHEMBL25418576 0.70 P2RX7 (0.36) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5534118 0.70 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL6472507 0.67 HSD11B1 (0.41)
SCHEMBL5527150 0.66 ACHE (0.33)
Carbamic Acid SCHEMBL28794006 0.63 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2HPGDTSHR
SCHEMBL16992688 0.63 IKBKB (0.53) ALDH1A1RXFP1GAASMN1; SMN2HPGD
SCHEMBL12700049 0.63 TDP1 (0.46) ALDH1A1RXFP1GAALMNASMN1; SMN2
SCHEMBL5533346 0.63 HSD11B1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885RXFP1 849/4885GAA 484/4885

“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.