SCHEMBL4153887

SCHEMBL4153887

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(Nc5ccccc5Cl)n4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 2/20 0.40
KDM1A O60341 1/20 0.39
PLAU P00749 1/20 0.37
PARP1 P09874 2/20 0.37
ALOX5 P09917 1/20 0.37
HPGD P15428 4/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
GPR17 Q13304 1/20 0.37

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
SCHEMBL4158049 0.92 PARP1 (0.38) ALDH1A1SMN1; SMN2MAPTPLAUPARP1
SCHEMBL4164423 0.90 CSNK2A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4167032 0.88 ALOX5 (0.44) SMN1; SMN2MEN1KMT2AMAPTPARP1
SCHEMBL3249096 0.86 RAB9A (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4160650 0.85 PARP1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4157997 0.83 RAB9A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4155345 0.83 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3241923 0.81 MAPT (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4155441 0.81 PARP1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4153295 0.81 PARP1 (0.47) ALDH1A1NPC1RAB9AMAPTPARP1

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 ALDH1A1 3830/4885NPC1 3366/4885RAB9A 2269/4885

“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.