SCHEMBL3742529

SCHEMBL3742529

CCC(O)(C(=O)O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.44
FDPS P14324 1/20 0.43
CYP19A1 P11511 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KCNH2 Q12809 2/20 0.41

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
SCHEMBL5570579 0.82 CYP2C19 (0.47) CYP1A2LMNACYP2C9CYP2C19HIF1A
SCHEMBL7899580 0.82 CYP2C19 (0.47) CYP1A2LMNACYP2C9CYP2C19HIF1A
SCHEMBL584028 0.82 CYP2C19 (0.47) CYP1A2LMNACYP2C9CYP2C19HIF1A
SCHEMBL6178344 0.80 CYP1A2 (0.51) KCNA5CYP1A2CYP3A4LMNACYP11B1
Ammonia Solution, Strong SCHEMBL3396016 0.80 CYP2C19 (0.45) CYP1A2LMNACYP2C9CYP2C19HIF1A
SCHEMBL27989626 0.78 KCNA5 (0.46) KCNA5CYP1A2CYP3A4LMNACYP11B1
SCHEMBL5929544 0.78 KCNA5 (0.46) KCNA5CYP1A2CYP3A4LMNACYP11B1
SCHEMBL30435487 0.77 CYP1A2 (0.56) KCNA5CYP1A2CYP3A4LMNACYP11B1
SCHEMBL1827065 0.77 CYP1A2 (0.56) KCNA5CYP1A2CYP3A4LMNACYP11B1
SCHEMBL4220721 0.77 KCNA5 (0.47) KCNA5CYP1A2CYP3A4LMNACYP11B1

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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R KCNA5 1552/4885CYP1A2 4013/4885CYP3A4 3540/4885

“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.