SCHEMBL4501442

SCHEMBL4501442

CCOC(=O)CNc1nc2cc3nc(NC(CC)C(=O)O)sc3cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TOP2A P11388 2/20 0.41
MAPK1 P28482 2/20 0.40
PTPN1 P18031 3/20 0.39
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
STAT1 P42224 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CSNK1D P48730 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALPL P05186 1/20 0.37
ELANE P08246 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
SCHEMBL9928638 0.85 ALDH1A1 (0.48) ALDH1A1TOP2AMAPK1PTPN1NPC1
SCHEMBL9963498 0.76 TOP2A (0.46) ALDH1A1TOP2AMAPK1NPC1RAB9A
SCHEMBL9963487 0.74 NPC1 (0.49) ALDH1A1MAPK1PTPN1NPC1RAB9A
SCHEMBL9963605 0.74 PTGS2 (0.45) TOP2ANPC1RAB9ASMN1; SMN2PKM
SCHEMBL2543169 0.73 MAPK1 (0.70) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4458533 0.71 NPC1 (0.59) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4488488 0.71 HDAC6 (0.50) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL9963507 0.69 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2815755 0.67 MMP3 (0.52) ALDH1A1MAPK1PTPN1NPC1RAB9A
SCHEMBL9963502 0.66 TMPRSS15 (0.56) TOP2ANPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ALDH1A1 51/4885TOP2A 772/4885MAPK1 86/4885

“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.