SCHEMBL12285238

SCHEMBL12285238

CNc1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.76
▸ ATM Q13315 3/20 0.74
▸ USP2 O75604 3/20 0.74
▸ CFTR P13569 1/20 0.74
▸ PAX8 Q06710 1/20 0.74
▸ GOPC Q9HD26 1/20 0.74
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL15006531 0.90 ABCB1 (0.74) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13881098 0.90 ABCB1 (0.74) ABCB1ATMUSP2CFTRPAX8
SCHEMBL14350757 0.90 ABCB1 (0.61) ABCB1ATMUSP2CFTRPAX8
SCHEMBL12173205 0.89 ABCB1 (0.72) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20216438 0.88 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20041379 0.88 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL10167878 0.88 ABCB1 (0.79) ABCB1ATMUSP2CFTRPAX8
SCHEMBL16024743 0.88 ABCB1 (0.79) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20216437 0.88 ABCB1 (0.70) ABCB1ATMUSP2CFTRPAX8
SCHEMBL268381 0.87 ABCB1 (1.00) ABCB1ATMUSP2CFTRPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021053205-A1 CHROMENE-4-ONE DERIVATIVES AS BRAIN-DERIVED NEUROTROPHIC FACTOR (BDNF) MIMETICS FLORATEK PHARMA AG (CH) 2021-03-25 — — WO disclosed
US-10845368-B2 Nanoparticles for mitochondrial trafficking of agents UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2020-11-24 — — US disclosed
US-10398663-B2 Mitochondrial delivery of 3-bromopyruvate UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-09-03 — — US disclosed
US-10004809-B2 Precise delivery of therapeutic agents to cell mitochondria for anti-cancer therapy UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2018-06-26 — — US disclosed
EP-2814496-B1 NANOPARTICLES FOR MITOCHONDRIAL TRAFFICKING OF AGENTS UNIV GEORGIA (US) 2018-04-11 — — EP disclosed
US-20180066004-A9 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-03-08 — — US disclosed
US-9901616-B2 Apoptosis-targeting nanoparticles UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-02-27 — — US disclosed
US-20170216219-A1 THERAPEUTIC NANOPARTICLES FOR ACCUMULATION IN THE BRAIN NATIONAL INSTITUTES OF HEALTH 2017-08-03 — — US disclosed
US-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-03-30 — — US disclosed
US-20170037071-A1 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-02-09 — — US disclosed
US-20170014361-A1 MITOCHONDRIAL DELIVERY OF 3-BROMOPYRUVATE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2017-01-19 — — US disclosed
US-20160184333-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS UNIVERSITY OF MASSACHUSETTS 2016-06-30 — — US disclosed
US-20140142121-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-05-22 — — US disclosed
WO-2011133879-A2 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS UNIVERSITY OF MASSACHUSETTS (US) 2011-10-27 — — WO disclosed
WO-2009036092-A2 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS UNIVERSITY OF MASSACHUSETTS (US) 2009-03-19 — — 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 (10 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-10004809-B2 Precise delivery of therapeutic agents to cell mitochondria for anti-cancer therapy SLC25A1, HADHA, CS ABCB1 814/4885ATM 1544/4885USP2 1342/4885
US-20180066004-A9 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG MT-ND4, MT-CO3, COX6A1 ABCB1 193/4885ATM 999/4885USP2 3558/4885
US-10398663-B2 Mitochondrial delivery of 3-bromopyruvate PC, SLC25A1, TK2 ABCB1 755/4885ATM 1336/4885USP2 4224/4885
US-20140142121-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS HSPE1, TUFM, TK2 ABCB1 1006/4885ATM 1463/4885USP2 2138/4885
US-20170216219-A1 THERAPEUTIC NANOPARTICLES FOR ACCUMULATION IN THE BRAIN NLN, HSPE1, HSPA9 ABCB1 394/4885ATM 2435/4885USP2 2142/4885
US-20160184333-A1 MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS HSPE1, TUFM, TK2 ABCB1 1006/4885ATM 1463/4885USP2 2138/4885
US-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES NLN, PRNP, TPMT ABCB1 7/4885ATM 3397/4885USP2 1556/4885
US-20170014361-A1 MITOCHONDRIAL DELIVERY OF 3-BROMOPYRUVATE PC, SLC25A1, TK2 ABCB1 755/4885ATM 1336/4885USP2 4224/4885
US-10845368-B2 Nanoparticles for mitochondrial trafficking of agents RHOT2, TFAM, MAVS ABCB1 321/4885ATM 3010/4885USP2 1918/4885
US-20170037071-A1 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG MT-ND4, MT-CO3, COX6A1 ABCB1 193/4885ATM 999/4885USP2 3558/4885

“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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