SCHEMBL1186103

SCHEMBL1186103

COc1c(F)cc(F)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 7/20 0.52
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TUBB1 Q9H4B7 3/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL29951095 1.00 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL11041903 0.82 ERN1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1747997 0.82 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31538431 0.82 ERN1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL14292700 0.82 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31166894 0.82 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4599553 0.81 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3664240 0.81 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL10265990 0.81 PRKDC (0.47) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL18002725 0.81 CA1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277124-B1 MEANS FOR TREATING MYOSIN-RELATED DISEASES HANNOVER MED HOCHSCHULE (DE) 2016-11-09 — — EP disclosed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 — — US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 — — EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 — — US disclosed
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 — — US disclosed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 — — US disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 — — EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 — — EP disclosed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 — — WO disclosed
US-8173676-B2 Benzyl, amines, a process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-05-08 — — US disclosed
EP-1878717-A1 Benzyl amines, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-16 — — EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 — — EP disclosed
US-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 — — US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 — — US disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 — — US disclosed
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 — — EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 — — WO disclosed
US-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 — — US disclosed
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 — — EP disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 — — 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 (3 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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS ERN1 2933/4885ALDH1A1 1055/4885KDM4E 3159/4885
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents IL1B, TNF, NFKBIA ERN1 1221/4885ALDH1A1 369/4885KDM4E 668/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ERN1 3486/4885ALDH1A1 1889/4885KDM4E 3685/4885

“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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