SCHEMBL5535598

SCHEMBL5535598

[CH2]c1ccccc1Oc1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
AR P10275 4/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
MRGPRX1 Q96LB2 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
GLA P06280 1/20 0.37

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
SCHEMBL5535897 0.85 KEAP1 (0.44) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL127000 0.85 TSHR (0.65) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7634253 0.85 CA1 (0.38) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29637724 0.85 TSHR (0.65) TSHRSMN1; SMN2MEN1KMT2ANPC1
Formaldehyde SCHEMBL9868053 0.83 SMN1; SMN2 (0.58) TSHRSMN1; SMN2MEN1KMT2ANPC1
Phosphine SCHEMBL22634020 0.83 TSHR (0.62) TSHRSMN1; SMN2MEN1KMT2ANPC1
Fluoride SCHEMBL27757467 0.83 TSHR (0.62) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5544903 0.83 TSHR (0.39) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5545759 0.82 TSHR (0.43) TSHRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3146032 0.82 HTR1A (0.50) TSHRSMN1; SMN2KMT2ANPC1RAB9A

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 TSHR 319/4885SMN1; SMN2 3985/4885MEN1 3295/4885

“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.