SCHEMBL4773657

SCHEMBL4773657

O=C1N=C(c2ccc3c(c2)OCCO3)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
NOTUM Q6P988 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NR0B1 P51843 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL4774575 0.74 MAOA (0.40) PTPRCSMN1; SMN2HTTNPC1RAB9A
SCHEMBL13945302 0.74 MIF (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4766311 0.73 MEN1 (0.48) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4764401 0.72 MAPT (0.45) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4763729 0.70 PDCD1 (0.43) MAPTTP53HIF1ACD274PDCD1
SCHEMBL4768655 0.70 PTGS2 (0.42) SMN1; SMN2RAB9AMAPTKDM4EALDH1A1
SCHEMBL4769027 0.70 NPC1 (0.46) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL4771354 0.69 ABL1 (0.44) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL4764752 0.68 IDO1 (0.46) SMN1; SMN2HTTMAPTMEN1USP2
SCHEMBL4769387 0.68 NOTUM (0.38) NOTUMCYP11B1CYP11B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PTPRC 4541/4885SMN1; SMN2 27/4885HTT 2446/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PTPRC 4730/4885SMN1; SMN2 37/4885HTT 2151/4885

“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.