SCHEMBL9936012

SCHEMBL9936012

[O]Cc1cccc2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
GLA P06280 3/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
PTBP1 P26599 1/20 0.55
RCE1 Q9Y256 1/20 0.55
MAPT P10636 2/20 0.50
ACHE P22303 2/20 0.50
MEN1 O00255 2/20 0.42
IDO1 P14902 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL29562242 0.85 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL28201815 0.85 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL4281890 0.85 KMT2A (0.58) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL29631756 0.85 KMT2A (0.58) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL23421423 0.85 KMT2A (0.58) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL7145834 0.81 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL22497413 0.81 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL10579170 0.81 KMT2A (0.55) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL291405 0.81 KMT2A (0.55) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL31574332 0.81 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EGLAHPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248075-A9 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-10-21 WO disclosed
WO-2020248075-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-12-17 WO disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (9 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 KMT2A 2776/4885ALDH1A1 3399/4885KDM4E 2196/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 KMT2A 2552/4885ALDH1A1 3072/4885KDM4E 2211/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 KMT2A 3793/4885ALDH1A1 2526/4885KDM4E 3664/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 KMT2A 3793/4885ALDH1A1 2526/4885KDM4E 3664/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KMT2A 2336/4885ALDH1A1 3218/4885KDM4E 2989/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KMT2A 3600/4885ALDH1A1 2875/4885KDM4E 2641/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KMT2A 3915/4885ALDH1A1 2867/4885KDM4E 2811/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 KMT2A 3751/4885ALDH1A1 2508/4885KDM4E 3604/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KMT2A 2096/4885ALDH1A1 3127/4885KDM4E 2927/4885

“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.