SCHEMBL1090688

SCHEMBL1090688

O=C1CCc2cc(Br)c([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ TYMS P04818 1/20 0.47
▸ MAPK1 P28482 3/20 0.41
▸ PKM P14618 1/20 0.39
▸ BAZ1A Q9NRL2 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ STAT6 P42226 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ S100A4 P26447 1/20 0.33

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
SCHEMBL7162505 0.93 TYMS (0.53) ALDH1A1MAPTTYMSMAPK1PKM
SCHEMBL25276892 0.90 MAPT (0.49) ALDH1A1MAPTTYMSMAPK1PKM
Ethylene SCHEMBL7162329 0.90 TYMS (0.51) ALDH1A1MAPTTYMSMAPK1PKM
SCHEMBL30997742 0.81 ALDH1A1 (0.61) ALDH1A1MAPTTYMSMAPK1PKM
SCHEMBL22028064 0.81 ALDH1A1 (0.61) ALDH1A1MAPTTYMSMAPK1PKM
SCHEMBL1994756 0.79 MAPT (0.45) ALDH1A1MAPTTYMSBAZ1AHSD17B10
SCHEMBL6204798 0.79 MAPK1 (0.42) ALDH1A1MAPTMAPK1BAZ1AHSD17B10
SCHEMBL7894568 0.79 ATM (0.42) ALDH1A1MAPTMAPK1BAZ1AHSD17B10
SCHEMBL11980460 0.79 BAZ1A (0.37) ALDH1A1MAPTTYMSMAPK1BAZ1A
SCHEMBL1025369 0.79 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1PKMBAZ1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 — — EP claimed
JP-4762551-B2 — — 2011-08-31 — — JP claimed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 — — US claimed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 — — EP claimed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 — — WO claimed
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 — — WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 — — CN disclosed
CN-109956928-B Pyridine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 — — CN disclosed
CN-109071498-B Kinase inhibitor and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-03-30 — — CN disclosed
CN-110655503-A Substituted triazole compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-01-07 — — CN disclosed
US-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 — — US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 — — US disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 — — US disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 — — US disclosed
CN-101213190-A Compounds and compositions useful as TPO mimetics IRM LLC (BM) 2008-07-02 — — CN disclosed
EP-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 — — EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 — — WO disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 — — US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 — — EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 — — 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 (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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 ALDH1A1 2283/4885MAPT 4833/4885TYMS 3338/4885
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO ALDH1A1 1941/4885MAPT 4215/4885TYMS 179/4885
US-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB ALDH1A1 2384/4885MAPT 4672/4885TYMS 1027/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB ALDH1A1 2384/4885MAPT 4672/4885TYMS 1027/4885

“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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