SCHEMBL10323933

SCHEMBL10323933

COC(=O)CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GPR139 Q6DWJ6 4/20 0.55
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 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
SCHEMBL10324159 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10323931 0.80 SMN1; SMN2 (0.63) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL11297711 0.78 NPC1 (0.80) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL704025 0.75 TAS1R3 (0.79) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL704026 0.75 TAS1R3 (0.79) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8191196 0.74 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10323215 0.74 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5002947 0.74 ALDH1A1 (0.68) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10324474 0.74 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5002951 0.74 ALDH1A1 (0.68) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD CYP1A2 1767/4885CYP2C9 1126/4885CYP2C19 487/4885

“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.