SCHEMBL1901465

SCHEMBL1901465

O=C(O)c1cc(-c2ccccc2)nc2ccc(I)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PDE10A Q9Y233 1/20 0.69
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 3/20 0.69
DHODH Q02127 7/20 0.66
HIF1A Q16665 2/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
POLB P06746 1/20 0.58
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CASP7 P55210 1/20 0.58
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL117405 0.87 EPRS1 (0.71) KDM4EHSD17B10ALDH1A1DHODHHIF1A
SCHEMBL10552947 0.85 DHODH (0.80) KDM4ELMNASMN1; SMN2PDE10AALDH1A1
SCHEMBL26074001 0.84 KDM4E (0.70) KDM4ELMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1897678 0.83 POLB (0.73) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
SCHEMBL8312271 0.83 MEN1 (0.53) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
Cinchophen SCHEMBL25519 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
Cinchophen SCHEMBL29376617 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
Cinchophen SCHEMBL7588217 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
SCHEMBL1903454 0.82 DHODH (0.94) KDM4ELMNASMN1; SMN2PDE10AHSD17B10
SCHEMBL1901337 0.82 EPRS1 (0.77) KDM4ELMNASMN1; SMN2PDE10AHSD17B10

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 8 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
CN-102099352-A STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2011-06-15 CN disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 EP disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 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 KDM4E 532/4885LMNA 4766/4885SMN1; SMN2 4492/4885

“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.