SCHEMBL5541285

SCHEMBL5541285

O=CNCc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 2/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
DBH P09172 1/20 0.41
CXCR4 P61073 1/20 0.41

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
SCHEMBL514207 0.84 NPC1 (0.55) PNMTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5544104 0.82 ADH1B (0.41) SMN1; SMN2NPSR1CYP1A2GLACYP3A4
SCHEMBL12480863 0.81 HTT (0.41) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL26568885 0.81 ADH1B (0.41) SMN1; SMN2NPSR1ADH1BADH1CADH1A
SCHEMBL6259611 0.81 CYP1A2 (0.45) SMN1; SMN2NPSR1CYP1A2GLACYP3A4
SCHEMBL18887689 0.81 P2RX7 (0.43) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5546538 0.79 ADH1B (0.50) SMN1; SMN2NPSR1CYP1A2GLACYP3A4
Formic Acid SCHEMBL5073843 0.79 RAB9A (0.55) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2575856 0.78 P2RX7 (0.48) P2RX7
SCHEMBL8763191 0.77 ADH1B (0.62) CYP2D6ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885SMN1; SMN2 3985/4885NPSR1 747/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX PNMT 41/4885SMN1; SMN2 3572/4885NPSR1 1208/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 PNMT 1422/4885SMN1; SMN2 4738/4885NPSR1 4028/4885

“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.