SCHEMBL5540596

SCHEMBL5540596

Cc1cccc(CCCNc2cc[c]cc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM2 P08172 1/20 0.32
HTT P42858 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
P2RX7 Q99572 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
HTR1B P28222 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL5545104 0.91 ESR1 (0.36) MAPTESR1ESR2TP53GAA
SCHEMBL5539997 0.88 TAAR1 (0.42) MAPTALDH1A1TP53CHRM2HTT
SCHEMBL5547956 0.81 MAPT (0.44) MAPTALDH1A1ESR1ESR2TP53
SCHEMBL5548214 0.78 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5536501 0.78 TAAR1 (0.44) MAPTALDH1A1TP53GAACHRM2
SCHEMBL5537497 0.77 MPO (0.37) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5539839 0.76 MPO (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5542230 0.76 TAAR1 (0.45) MAPTALDH1A1CHRM2CYP1A2CYP3A4
SCHEMBL5546495 0.75 TAAR1 (0.46) MAPTALDH1A1CHRM2
SCHEMBL5537697 0.75 TAAR1 (0.46) MAPTALDH1A1

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 MAPT 4117/4885ALDH1A1 355/4885ESR1 1578/4885

“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.