SCHEMBL3440352

SCHEMBL3440352

CNC(=O)c1ccc(CNC2CCC(C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
PLK1 P53350 3/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
LTA4H P09960 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CXCR4 P61073 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SSTR3 P32745 1/20 0.43

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
SCHEMBL3440164 0.88 HDAC1 (0.73) HDAC1PLK1HPGDSMN1; SMN2EPHX2
SCHEMBL791504 0.85 CHEK1 (0.54) HDAC1ALDH1A1HPGDSMN1; SMN2LTA4H
SCHEMBL12084650 0.80 NPC1 (0.58) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL3440379 0.79 MEN1 (0.51) HDAC1LTA4HRAB9AMEN1KMT2A
SCHEMBL29056584 0.76 HDAC1 (0.59) HDAC1ALDH1A1HPGDEPHX2NR1H4
SCHEMBL2734359 0.75 HDAC1 (0.55) HDAC1ALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL24619072 0.74 BCHE (0.54) LTA4HRAB9AMEN1KMT2A
SCHEMBL18412977 0.74 BCHE (0.54) LTA4HRAB9AMEN1KMT2A
SCHEMBL22483034 0.74 HDAC1 (0.58) HDAC1EPHX2NR1H4LTA4HRAB9A
SCHEMBL12680887 0.74 GRIN2B (0.62) LTA4HRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 HDAC1 2241/4885PLK1 2971/4885ALDH1A1 279/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 HDAC1 2012/4885PLK1 3017/4885ALDH1A1 428/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 HDAC1 1344/4885PLK1 3500/4885ALDH1A1 2740/4885

“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.