SCHEMBL2348236

SCHEMBL2348236

CNCc1nc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CNR2 P34972 1/20 0.41
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
PRMT6 Q96LA8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
DHFR P00374 1/20 0.36
POLB P06746 1/20 0.36
OPRK1 P41145 1/20 0.36
GAA P10253 3/20 0.36
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36

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
Hydrochloric Acid SCHEMBL1928072 0.99 CA1 (0.42) CA1CA2CNR2MAPTALDH1A1
SCHEMBL1927474 0.78 CNR2 (0.67) CA1CA2CNR2MAPTKDM4E
SCHEMBL2346031 0.78 MAPT (0.46) CNR2MAPTALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL1927878 0.77 MAPT (0.45) CNR2MAPTALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL1928142 0.77 CNR2 (0.66) CA1CA2CNR2MAPTKDM4E
SCHEMBL6230590 0.76 CNR2 (0.48) CA1CA2CNR2MAPTALDH1A1
SCHEMBL2361567 0.75 LTA4H (0.53) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL27584706 0.75 CA1 (0.50) CA1CA2CNR2MAPTALDH1A1
SCHEMBL1929904 0.74 GAA (0.59) MAPTALDH1A1RAB9AMEN1NPC1
Acetic Acid SCHEMBL5144185 0.74 CNR2 (0.46) CA1CA2CNR2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP claimed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
CN-100488506-C 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-05-20 CN claimed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US claimed
EP-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP claimed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 US claimed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN claimed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO claimed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP disclosed
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP disclosed
EP-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP disclosed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 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 (3 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CA1 3405/4885CA2 2494/4885CNR2 22/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CA1 2593/4885CA2 1703/4885CNR2 15/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 CA1 2677/4885CA2 1810/4885CNR2 55/4885

“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.