SCHEMBL3974762

SCHEMBL3974762

CCCCOC(=O)C1(Oc2ccc([N+](=O)[O-])cc2Cl)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MAPT P10636 7/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL6816060 0.73 MAPT (0.73) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL2984468 0.73 TDP1 (0.64) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL3975186 0.71 ALDH1A1 (0.45) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL5108815 0.70 RAB9A (0.69) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL18204983 0.70 RAB9A (0.58) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL31421725 0.69 MEN1 (0.49) MAPTALDH1A1LMNAKMT2ATDP1
SCHEMBL12189817 0.69 MAPT (0.70) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL12190083 0.69 MAPT (0.70) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL7839338 0.68 CACNA1F (0.44) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL18204997 0.67 RAB9A (0.55) RAB9AMAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (1 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB RAB9A 4140/4885MAPT 338/4885ALDH1A1 3516/4885

“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.