SCHEMBL5000330

SCHEMBL5000330

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC7 O00311 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4996509 0.94 SIRT2 (0.42) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL4997192 0.91 F10 (0.39) MAPTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL5002300 0.90 CDC7 (0.38) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL5002321 0.89 CDC7 (0.47) MAPTALDH1A1HPGDCDC7SMN1; SMN2
SCHEMBL5002697 0.88 HSD17B10 (0.41) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL4993022 0.88 SMN1; SMN2 (0.40) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL4995825 0.85 CDC7 (0.46) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL14188643 0.85 CDC7 (0.43) KDM4EALDH1A1HPGDCDC7MEN1
SCHEMBL4991808 0.85 S1PR1 (0.41) MAPTCYP1A2CYP2C19CDC7MEN1
SCHEMBL4997519 0.84 CDC7 (0.45) KDM4EALDH1A1HPGDCDC7MEN1

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPT 1363/4885KDM4E 2647/4885ALDH1A1 4153/4885

“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.