SCHEMBL4645984

SCHEMBL4645984

C=CCNC(=N)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 5/20 0.44
HTT P42858 1/20 0.44
PKM P14618 2/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL7400924 0.81 HPGD (0.54) HPGDHTTALDH1A1LMNARAB9A
Hydrochloric Acid SCHEMBL7397125 0.79 HPGD (0.53) HPGDHTTALDH1A1LMNARAB9A
SCHEMBL21959263 0.78 RAB9A (0.44) HPGDPKMALDH1A1LMNARAB9A
SCHEMBL9068167 0.78 PKM (0.68) NPSR1HPGDHTTPKMALDH1A1
SCHEMBL17459822 0.75 MAPT (0.59) HTTALDH1A1LMNARAB9ANPC1
SCHEMBL15149819 0.73 MMP13 (0.51) HPGDHTTALDH1A1LMNARAB9A
SCHEMBL16249979 0.72 CYP1A2 (0.41) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL15149671 0.72 LMNA (0.44) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
P-Xylene SCHEMBL11137342 0.71 NPSR1 (0.44) NPSR1HPGDHTTPKMALDH1A1
SCHEMBL17826852 0.70 LMNA (0.43) ALDH1A1LMNA

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 NPSR1 1731/4885HPGD 338/4885HTT 1949/4885
US-20050049421-A1 Method for preparing nitrogen-containing compounds NOS2, NOS1, NNMT NPSR1 1731/4885HPGD 338/4885HTT 1949/4885
US-20050043569-A1 Method for preparing nitrogen-containing compounds NOS2, NOS1, NNMT NPSR1 1731/4885HPGD 338/4885HTT 1949/4885
US-20030158442-A1 Process for the production of nitrogen compounds NOS2, NOS1, NNMT NPSR1 1879/4885HPGD 429/4885HTT 1843/4885

“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.