SCHEMBL5544243

SCHEMBL5544243

Clc1ccc(CN[CH]c2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
PPARG P37231 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
KDM1A O60341 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL5544059 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL5545076 0.78 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4887074 0.75 HTT (0.51) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL12614496 0.75 IDO1 (0.48) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL8256192 0.75 IDO1 (0.48) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL5539505 0.75 LMNA (0.50) ALDH1A1MEN1KMT2AALOX12KDM1A
SCHEMBL5540586 0.75 PNMT (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5539358 0.75 CHRM2 (0.49) ALDH1A1MAPTSIGMAR1HPGDLMNA
SCHEMBL31478745 0.74 MAPT (0.60) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL5535117 0.74 KDM1A (0.44) ALDH1A1MEN1KMT2AKDM1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885MEN1 3295/4885KMT2A 4267/4885

“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.