SCHEMBL4157997

SCHEMBL4157997

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ABL1 P00519 1/20 0.47
PARP1 P09874 5/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
ADORA3 P0DMS8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3244365 0.85 ABL1 (0.51) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4164423 0.85 CSNK2A1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4158049 0.85 PARP1 (0.38) SMN1; SMN2ABL1PARP1ALDH1A1MAPT
SCHEMBL4160650 0.84 PARP1 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4155441 0.83 PARP1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4153887 0.83 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4153295 0.83 PARP1 (0.47) RAB9ANPC1PARP1KDM4EALDH1A1
SCHEMBL4163697 0.82 HPGDS (0.39) PARP1
SCHEMBL4167032 0.82 ALOX5 (0.44) SMN1; SMN2LMNAMEN1KMT2AABL1
SCHEMBL4155345 0.81 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2LMNAMEN1

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 RAB9A 2269/4885NPC1 3366/4885SMN1; SMN2 2559/4885

“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.