SCHEMBL4648147

SCHEMBL4648147

CCC(=N)Nc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.43
KIF11 P52732 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TGM2 P21980 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL28634062 0.83 POLB (0.48) POLBTDP1NPC1RAB9AMAPT
SCHEMBL14642149 0.81 MEN1 (0.49) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL14465838 0.80 MAPT (0.50) NPC1RAB9AMAPTMEN1CYP3A4
SCHEMBL3077318 0.79 KIF11 (0.48) POLBTDP1NPC1RAB9AMAPT
SCHEMBL678436 0.77 TDP1 (0.56) POLBTDP1NPC1RAB9AMAPT
SCHEMBL24879921 0.76 EPHX2 (0.53) NPC1RAB9AKIF11MEN1HTT
SCHEMBL20355752 0.76 HSD17B10 (0.55) NPC1RAB9AMAPTMEN1CYP1A2
SCHEMBL28357095 0.75 HTT (0.50) POLBTDP1NPC1RAB9AMAPT
SCHEMBL7940916 0.75 POLB (0.44) POLBTDP1NPC1RAB9AMAPT
SCHEMBL12035256 0.75 TDP1 (0.60) POLBTDP1NPC1RAB9AMAPT

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-1285909-B1 PROCESS FOR THE PRODUCTION OF NITROGEN COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-08-20 EP disclosed
US-7087783-B2 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-08-08 US disclosed
US-6960689-B2 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-11-01 US disclosed
US-6946576-B2 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-20 US disclosed
US-20050075513-A1 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-07 US disclosed
US-20050049421-A1 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-03-03 US disclosed
US-20050043569-A1 Method for preparing nitrogen-containing compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-24 US disclosed
US-6803472-B2 REACTING NH GROUP-CONTAINING COMPOUNDS WITH THIOCYANATES, CYANAMIDES, NITRITES OR ESTERS IN PRESENCE OF SILYLATING AGENT TO SYNTHESIZE CORRESPONDING NITROGEN-CONTAINING ADDITION OR SUBSTITUTION PRODUCTS; DIRECT, EFFICIENCY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-10-12 US disclosed
US-20030158442-A1 Process for the production of nitrogen compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1285909-A1 PROCESS FOR THE PRODUCTION OF NITROGEN COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-02-26 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 (4 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-20050075513-A1 Method for preparing nitrogen-containing compounds NOS2, NOS1, NNMT POLB 4341/4885TDP1 2035/4885NPC1 1395/4885
US-20050049421-A1 Method for preparing nitrogen-containing compounds NOS2, NOS1, NNMT POLB 4341/4885TDP1 2035/4885NPC1 1395/4885
US-20050043569-A1 Method for preparing nitrogen-containing compounds NOS2, NOS1, NNMT POLB 4341/4885TDP1 2035/4885NPC1 1395/4885
US-20030158442-A1 Process for the production of nitrogen compounds NOS2, NOS1, NNMT POLB 4306/4885TDP1 2651/4885NPC1 1652/4885

“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.