SCHEMBL14946753

SCHEMBL14946753

CC(O)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 1/20 0.42
▸ LMNA P02545 2/20 0.37
▸ TYR P14679 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL14946815 0.86 LMNA (0.38) CACNA1ILMNATYRTSHRTP53
SCHEMBL855236 0.83 CACNA1I (0.38) CACNA1ILMNATYRESR1ESR2
SCHEMBL14653779 0.82 KMT2A (0.44) LMNATSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL18479367 0.82 RAB9A (0.39) CACNA1ILMNAESR1ESR2TSHR
SCHEMBL14946749 0.80 CACNA1I (0.38) CACNA1ILMNATYRESR1ESR2
SCHEMBL24636032 0.80 CACNA1I (0.36) CACNA1ILMNATYRESR1ESR2
SCHEMBL20228078 0.80 CACNA1I (0.36) CACNA1ILMNATYRESR1ESR2
SCHEMBL21789532 0.80 CACNA1I (0.36) CACNA1ILMNATYRTSHRTP53
SCHEMBL2693246 0.80 PDE2A (0.36) CACNA1ILMNATYRTSHRSCN10A
SCHEMBL20457815 0.80 CACNA1I (0.36) CACNA1ILMNATYRESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387953-A1 BENZOXAZOLE AND RELATED COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2021-12-16 — — US disclosed
US-20210053958-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF COM AFFILIATION, INC. 2021-02-25 — — US disclosed
US-9890143-B2 Retinoic acid receptor antagonists as chaperone-mediated authophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-02-13 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-02-09 — — US disclosed
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-02-09 — — US disclosed
US-9512092-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-12-06 — — US disclosed
US-20150166492-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE 2015-06-18 — — US disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 — — US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 — — US 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 (5 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-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF RXRA, RARB, RARA CACNA1I 4750/4885LMNA 1121/4885TYR 3039/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 CACNA1I 757/4885LMNA 2379/4885TYR 1484/4885
US-20150166492-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF RARA, RARB, RXRA CACNA1I 4770/4885LMNA 1280/4885TYR 2905/4885
US-20210053958-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF RARA, RARB, RXRA CACNA1I 4770/4885LMNA 1280/4885TYR 2905/4885
US-20210387953-A1 BENZOXAZOLE AND RELATED COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS CLPX, SQSTM1, ATG7 CACNA1I 2465/4885LMNA 2356/4885TYR 1313/4885

“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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