SCHEMBL12004352

SCHEMBL12004352

COCOc1cc(-c2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.53
MAPT P10636 6/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
APP P05067 1/20 0.39
PDE7A Q13946 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
PDE3A Q14432 1/20 0.38
MGAM O43451 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
SCHEMBL27513876 0.82 CXCR1 (0.53) CXCR1MAPTLMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL8376601 0.81 CXCR1 (0.52) CXCR1MAPTLMNAHTTL3MBTL1
SCHEMBL2969822 0.80 NPC1 (0.46) MAPTLMNAHTTCYP1A2MEN1
SCHEMBL1416805 0.79 ALDH1A1 (0.48) MAPTCYP1A2RAB9ANPC1POLB
SCHEMBL20286381 0.79 RAB9A (0.52) MAPTL3MBTL1CYP1A2KMT2ARAB9A
SCHEMBL1417187 0.79 CYP1A2 (0.38) CXCR1MAPTCYP1A2APPRAB9A
SCHEMBL789255 0.79 CYP1A2 (0.38) CXCR1MAPTCYP1A2MEN1KMT2A
SCHEMBL8378803 0.79 CHRM4 (0.50) CXCR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL1417155 0.77 MAPT (0.37) CXCR1MAPTL3MBTL1CYP1A2RAB9A
SCHEMBL2969884 0.77 MAPT (0.37) CXCR1MAPTHTTCYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US 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-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CXCR1 352/4885MAPT 4698/4885LMNA 4435/4885

“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.