SCHEMBL6789593

SCHEMBL6789593

O=C(O)Cc1ccc(N2CC3CCCCC3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LIPE Q05469 5/20 0.41
POLB P06746 2/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KLKB1 P03952 1/20 0.40
CTSB P07858 1/20 0.40
QPCT Q16769 1/20 0.40
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NR3C2 P08235 1/20 0.37
SRD5A2 P31213 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL24510979 0.82 KLKB1 (0.40) LIPEPOLBNSD2GRK2CASP6
SCHEMBL10447256 0.79 ALDH1A1 (0.51) KMT2APOLBALDH1A1MAPTHPGD
SCHEMBL13046380 0.79 ALDH1A1 (0.51) KMT2APOLBALDH1A1MAPTHPGD
SCHEMBL11619413 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBNSD2GRK2
SCHEMBL6784295 0.76 SMN1; SMN2 (0.46) KMT2ALIPEPTGER4
SCHEMBL6783147 0.74 CDK2 (0.59)
SCHEMBL11611893 0.72 KMT2A (0.42) KMT2AL3MBTL1POLBNSD2GRK2
SCHEMBL6788681 0.71 NSD2 (0.45) LIPEPOLBNSD2GRK2CASP6
SCHEMBL6788342 0.71 ALDH1A1 (0.61) KMT2APOLBNSD2GRK2CASP6
SCHEMBL5124270 0.71 ALDH1A1 (0.66) KMT2APOLBALDH1A1MAPTHPGD

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 4 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
US-4116972-A ANTI-INFLAMMATORY 1-OXO-ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION FUJI CHEMICAL INDUSTRY COMPANY LIMITED (JP) 1978-09-26 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 KMT2A 1495/4885L3MBTL1 2265/4885LIPE 4514/4885

“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.