SCHEMBL659165

SCHEMBL659165

O=C1c2ccccc2C(=O)N1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.63
▸ MAPT P10636 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ SCN2A Q99250 2/20 0.54
▸ IDO1 P14902 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ GAA P10253 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ P2RX4 Q99571 1/20 0.43

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
SCHEMBL9481830 0.84 ALDH1A1 (0.49) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL5532596 0.84 ALDH1A1 (0.58) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL14588688 0.82 CA12 (0.48) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL11243947 0.80 HTT (0.45) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL29367470 0.80 KMT2A (0.74) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL6524461 0.80 KMT2A (0.74) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL5528619 0.79 MEN1 (0.73) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL9671323 0.78 MEN1 (0.71) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL10914237 0.78 MEN1 (0.76) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL9396061 0.78 KMT2A (0.71) KMT2AMAPTMEN1ALDH1A1HTT

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
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — US disclosed
EP-0513028-A4 HERBICIDAL PYRONES — 1992-11-25 — — EP disclosed
EP-0513028-A1 HERBICIDAL PYRONES DUNLENA PTY. LIMITED (AU) 1992-11-19 — — EP disclosed
WO-1991010658-A1 HERBICIDAL PYRONES DUNLENA PTY. LIMITED (AU) 1991-07-25 — — WO 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 KMT2A 4832/4885MAPT 2433/4885MEN1 3782/4885

“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.

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