SCHEMBL1720706

SCHEMBL1720706

O=C(O)c1nccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 19/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10718871 0.81 CSNK2A1 (0.36) KMOKDM4EALDH1A1SMN1; SMN2
SCHEMBL27956903 0.81 KMO (0.36) KMOKDM4EALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL31704998 0.79 CA1 (0.34) KMOKDM4EALDH1A1SMN1; SMN2
SCHEMBL31589970 0.76 P2RX7 (0.57) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2659157 0.76 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2762628 0.76 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL31126262 0.76 KDM4E (0.55) KMOKDM4EALDH1A1SMN1; SMN2
SCHEMBL163539 0.76 KMO (0.50) KMO
SCHEMBL87765 0.76 KDM4E (0.55) KMOKDM4EALDH1A1SMN1; SMN2
SCHEMBL163540 0.76 KMO (0.50) KMOKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702506-A 11-carbonyl-20-ethoxy economic oridonin and 14-OH esterified series derivatives and application thereof 郑州大学 2022-07-05 — — CN claimed
WO-2022078279-A1 ANTIBODY-DRUG CONJUGATE AND USE THEREOF 昆山新蕴达生物科技有限公司 2022-04-21 — — WO claimed
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
US-10693086-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-06-23 — — US disclosed
US-20180366660-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-12-20 — — US disclosed
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 — — US disclosed
CN-103360407-B A kind of Thienopyrimidine analog derivative, its preparation method and in application pharmaceutically 上海希迈医药科技有限公司 2016-06-22 — — CN disclosed
CN-102757420-B Heterotactic aryl carboxylic acid compound, preparation method thereof, medicine composition comprising compound and application of compound SHANGHAI INST MATERIA MEDICA 2015-02-04 — — CN disclosed
EP-2804605-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2014-11-26 — — EP disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 — — US disclosed
WO-2013109991-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-07-25 — — WO disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 — — EP disclosed
EP-2406253-A1 BENZOFURANYL DERIVATIVES USED AS GLUCOKINASE INHIBITORS Pfizer Inc. (US) 2012-01-18 — — EP disclosed
WO-2010103437-A1 BENZOFURANYL DERIVATIVES USED AS GLUCOKINASE INHIBITORS PFIZER INC. (US) 2010-09-16 — — WO disclosed
WO-2009097014-A2 THERAPEUTIC KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-08-06 — — WO disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 — — US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KMO 470/4885KDM4E 3346/4885ALDH1A1 1316/4885
US-10693086-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 KMO 1124/4885KDM4E 2493/4885ALDH1A1 147/4885
US-20180366660-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 KMO 1124/4885KDM4E 2493/4885ALDH1A1 147/4885
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D KMO 984/4885KDM4E 3182/4885ALDH1A1 394/4885

“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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