SCHEMBL1917733

SCHEMBL1917733

COCC(=O)Nc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ PKM P14618 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11155455 0.82 KMT2A (0.48) KMT2AMEN1L3MBTL1THRBPOLB
SCHEMBL15766632 0.82 KMT2A (0.51) TSHRKMT2AMEN1L3MBTL1POLB
SCHEMBL19388071 0.79 POLB (0.68) TSHRKMT2AMEN1L3MBTL1POLB
SCHEMBL17926417 0.78 ALDH1A1 (0.66) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL12730375 0.76 LCK (0.42) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL18765136 0.73 TGM2 (0.48) KMT2AL3MBTL1POLBALDH1A1MAPT
SCHEMBL1848788 0.73 ALDH1A1 (0.46) TSHRKMT2AMEN1PKML3MBTL1
SCHEMBL31123135 0.73 ALDH1A1 (0.46) TSHRKMT2AMEN1PKML3MBTL1
SCHEMBL28432763 0.73 MAPK1 (0.39) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL18322365 0.72 KAT2B (0.44) KMT2AL3MBTL1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 — — EP disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 — — EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 — — US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 — — EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 — — US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 — — US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 — — US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 — — EP disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 — — US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 — — US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — 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 (4 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD TSHR 122/4885KMT2A 2018/4885MEN1 4781/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD TSHR 122/4885KMT2A 2018/4885MEN1 4781/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD TSHR 144/4885KMT2A 1675/4885MEN1 4765/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD TSHR 234/4885KMT2A 1328/4885MEN1 4518/4885

“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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