SCHEMBL6784455

SCHEMBL6784455

COC(=O)C(C)c1ccc(N2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.54
MAPT P10636 7/20 0.53
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
USP2 O75604 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL254670 0.98 HIF1A (0.53) HIF1AMAPTALDH1A1NPSR1KMT2A
SCHEMBL5923194 0.85 L3MBTL3 (0.55) HIF1ACCNA2CDK2CCNA1
SCHEMBL21439780 0.85 L3MBTL1 (0.48) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL28745217 0.83 MAPT (0.54) HIF1AMAPTALDH1A1NPSR1KMT2A
SCHEMBL27565323 0.81 ALDH1A1 (0.53) HIF1AMAPTALDH1A1NPSR1KMT2A
SCHEMBL6787925 0.81 MAPT (0.53) HIF1AMAPTALDH1A1NPSR1KMT2A
SCHEMBL10085476 0.80 RAB9A (0.53) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL27602621 0.80 ALDH1A1 (0.51) HIF1AMAPTALDH1A1NPSR1KMT2A
SCHEMBL21435774 0.80 MAPT (0.57) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL5362646 0.77 KCNQ2 (0.46) HIF1AMAPTALDH1A1NPSR1KMT2A

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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 HIF1A 2786/4885MAPT 2178/4885ALDH1A1 774/4885

“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.