SCHEMBL5680102

SCHEMBL5680102

O=C1OCCC1Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.42
HTR2B P41595 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL6288896 0.93 DDB1 (0.47) KCNH3DDB1CRBNHSD17B10ALDH1A1
SCHEMBL10977584 0.80 POLB (0.40) ALDH1A1MAPK1KMT2AMAPTCYP1A2
SCHEMBL15921255 0.80 DDB1 (0.50) DDB1CRBN
SCHEMBL18780345 0.80 MEN1 (0.43) KCNH3ALDH1A1TSHRMEN1KMT2A
SCHEMBL15933095 0.79 TDP1 (0.46) ALDH1A1TDP1
SCHEMBL15921072 0.79 HSD17B10 (0.40) HSD17B10
SCHEMBL878297 0.76 MAPT (0.42) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL4318982 0.75 KDM4E (0.43) MEN1KMT2AGAA
SCHEMBL7039605 0.75 DDB1 (0.55) KCNH3DDB1CRBNALDH1A1TSHR
SCHEMBL11487199 0.73 GAA (0.40) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 EP claimed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US claimed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP claimed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO claimed
EP-1661564-A1 Heterocyclic compounds and their pharmaceutical use Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-05-31 EP disclosed
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 EP disclosed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 US disclosed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO 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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 KCNH3 3040/4885DDB1 3430/4885CRBN 2889/4885

“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.