SCHEMBL5361648

SCHEMBL5361648

Cc1cc(-c2ccccn2)nc(SCC(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
HPGD P15428 4/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APEX1 P27695 1/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
PPARA Q07869 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
VCP P55072 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14444164 0.85 LMNA (0.57) ALOX15HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL5351076 0.81 ALOX15 (0.57) ALOX15HPGDALDH1A1SMN1; SMN2APEX1
SCHEMBL12131387 0.79 FFAR1 (0.51) ALOX15HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL5717697 0.78 GAA (0.66) ALOX15HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL14444295 0.77 CYP1A2 (0.57) ALOX15HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL14444304 0.75 L3MBTL1 (0.52) ALOX15HPGDALDH1A1CYP1A2SMN1; SMN2
SCHEMBL11752836 0.74 LMNA (0.56) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14444509 0.73 CYP1A2 (0.56) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14444503 0.73 CYP1A2 (0.54) ALOX15HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL759274 0.72 ALOX15 (1.00) ALOX15ALDH1A1SMN1; SMN2MEN1MAPT

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-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 US disclosed
US-20040077641-A1 Pyridyl pyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-22 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-20040077641-A1 Pyridyl pyrimidines for use as pesticides PNPO, P2RX6, P2RX1 ALOX15 2980/4885HPGD 1714/4885ALDH1A1 1204/4885

“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.