SCHEMBL1899382

SCHEMBL1899382

O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2cc(Br)ccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.82
LMNA P02545 4/20 0.57
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HCRTR1 O43613 1/20 0.52
GLA P06280 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
ESR1 P03372 1/20 0.50
PLA2G1B P04054 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL1900513 0.94 STAT3 (0.81) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1899809 0.91 STAT3 (1.00) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL29382140 0.91 STAT3 (1.00) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1904403 0.89 STAT3 (0.82) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1906135 0.89 STAT3 (0.82) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1905449 0.86 STAT3 (0.84) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1899540 0.85 STAT3 (0.89) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1899563 0.85 STAT3 (0.89) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1900395 0.85 STAT3 (0.82) STAT3LMNAKDM4ETDP1MEN1
SCHEMBL1899815 0.85 STAT3 (1.00) STAT3LMNAKDM4ETDP1MEN1

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
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 EP disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 US disclosed
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2011-07-14 US disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 EP 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-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885LMNA 4766/4885KDM4E 532/4885

“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.