SCHEMBL9122336

SCHEMBL9122336

NNc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.60
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ PDK1 Q15118 1/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ PDK3 Q15120 1/20 0.51
▸ PDK4 Q16654 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ VCAM1 P19320 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RORC P51449 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
Hydrochloric Acid SCHEMBL9594133 0.98 HSD17B10 (0.58) HSD17B10KMT2AMEN1RAB9APDK1
SCHEMBL3273626 0.85 HSD17B10 (0.60) HSD17B10KMT2AMEN1RAB9ACA1
Hydrochloric Acid SCHEMBL1118002 0.84 HSD17B10 (0.58) HSD17B10KMT2AMEN1RAB9ACA1
SCHEMBL4361693 0.81 HSD17B10 (0.60) HSD17B10KMT2AMEN1RAB9APDK1
SCHEMBL29036913 0.80 HSD17B10 (0.58) HSD17B10KMT2AMEN1RAB9APDK1
SCHEMBL27910937 0.80 KMT2A (0.63) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL9387603 0.79 TDP1 (0.55) HSD17B10KMT2AMEN1ALDH1A1MAPT
SCHEMBL29702896 0.79 TDP1 (0.55) HSD17B10KMT2AMEN1ALDH1A1MAPT
SCHEMBL5462968 0.79 HSD17B10 (0.56) HSD17B10KMT2AMEN1RAB9APDK1
SCHEMBL5462964 0.79 HSD17B10 (0.56) HSD17B10KMT2AMEN1RAB9APDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4285906-A2 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme Inc (US) 2023-12-06 — — EP disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 — — EP disclosed
CN-116041346-A Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of use thereof EPIZYME股份有限公司 2023-05-02 — — CN disclosed
CN-110088099-B Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of use thereof EPIZYME股份有限公司 2023-01-31 — — CN disclosed
US-20220235065-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2022-07-28 — — US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 — — US disclosed
EP-3555070-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme Inc (US) 2019-10-23 — — EP disclosed
WO-2018118842-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2018-06-28 — — WO disclosed
US-5436259-A Angiotensive II antagonist as hypotensive agents MERCK & CO., INC. (US) 1995-07-25 — — US disclosed
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 — — US disclosed
EP-0258773-B1 Benzothiazolones, their production and use as herbicides SUMITOMO CHEMICAL CO (JP) 1994-06-15 — — EP disclosed
EP-0586513-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1994-03-16 — — EP disclosed
US-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 — — US disclosed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 — — EP disclosed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 — — WO disclosed
WO-1992020662-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1992-11-26 — — WO disclosed
US-4912225-A From a 1,3,4-oxadiazol-2-one compound with a halogenated phenyl compound in position 3 SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-27 — — US disclosed
US-4824465-A HERBICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-25 — — US disclosed
EP-0258773-A2 Benzothiazolones, their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 — — 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 (2 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-20220235065-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 HSD17B10 582/4885KMT2A 28/4885MEN1 842/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 HSD17B10 540/4885KMT2A 28/4885MEN1 819/4885

“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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