SCHEMBL2755853

SCHEMBL2755853

NC(=O)NCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
RAB9A P51151 4/20 0.57
CNR1 P21554 1/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
HSD11B1 P28845 1/20 0.56
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALOX15 P16050 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
CYP1A2 P05177 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 2/20 0.52
HTT P42858 2/20 0.52

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
SCHEMBL30206599 1.00 MAPK1 (0.60) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL4575707 0.87 MAPK1 (0.65) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL29655342 0.87 MAPK1 (0.65) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL27263888 0.84 RAB9A (0.58) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL1694984 0.84 RAB9A (0.62) MAPK1RAB9ACNR1NPC1MEN1
Hydrochloric Acid SCHEMBL7603529 0.83 RAB9A (0.61) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL11210362 0.83 HRH3 (0.61) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL48652 0.83 HRH3 (0.61) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL429129 0.83 RAB9A (0.57) MAPK1RAB9ACNR1NPC1MEN1
SCHEMBL170486 0.83 RAB9A (0.57) MAPK1RAB9ACNR1NPC1MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096978-A Butadiene polymers having improved scorch delay and fast cure rates; tires; treads MONSANTO COMPANY (US) 1992-03-17 US claimed
EP-0364428-A1 Vulcanizable synthetic rubber compositions cure-activated by substituted ureas Monsanto Company (US) 1990-04-18 EP claimed
US-20160369208-A1 UREA GELLANT THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
US-5096978-A Butadiene polymers having improved scorch delay and fast cure rates; tires; treads MONSANTO COMPANY (US) 1992-03-17 US disclosed
EP-0364428-A1 Vulcanizable synthetic rubber compositions cure-activated by substituted ureas Monsanto Company (US) 1990-04-18 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 (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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 MAPK1 4768/4885RAB9A 2196/4885CNR1 1079/4885
US-20160369208-A1 UREA GELLANT UGP2, UGGT1, SLC14A1 MAPK1 2906/4885RAB9A 2575/4885CNR1 4158/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 MAPK1 4768/4885RAB9A 2196/4885CNR1 1079/4885

“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.