SCHEMBL661305

SCHEMBL661305

O=C1c2ccccc2C(=O)N1OCc1ccc2nonc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 1/20 0.55
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ KCNJ1 P48048 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL5558757 0.76 MEN1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5558141 0.75 MEN1 (0.62) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6524461 0.73 KMT2A (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL29367470 0.73 KMT2A (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL24168448 0.72 MEN1 (0.59) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL22895135 0.72 MEN1 (0.59) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5528619 0.72 MEN1 (0.73) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL13486453 0.71 MEN1 (0.44) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9396061 0.71 KMT2A (0.71) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5528668 0.71 MEN1 (0.66) MEN1KMT2AMAPTGAAALDH1A1

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 10 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
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 — — WO disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 — — WO disclosed
WO-2008109936-A1 STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-09-18 — — WO disclosed
WO-2008109936-A1 STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-09-18 — — 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 MEN1 3782/4885KMT2A 4832/4885MAPT 2433/4885

“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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