SCHEMBL548760

SCHEMBL548760

Cc1cc(C)c(C=O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
PRKDC P78527 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.39
ERN1 O75460 5/20 0.39
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNJ1 P48048 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3847770 0.91 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL29447325 0.91 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL18128766 0.82 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL29743757 0.80 ERN1 (0.48) PRKDCALDH1A1TSHRERN1LMNA
SCHEMBL12407954 0.80 TDP1 (0.42) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL1517367 0.80 PRKDC (0.38) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL31477129 0.80 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL22490186 0.80 PRKDC (0.38) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL31088903 0.80 PRKDC (0.38) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL2916048 0.80 ERN1 (0.48) PRKDCALDH1A1TSHRERN1LMNA

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-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-9012412-B2 Dual SGLT1/SGLT2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-04-21 US disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
US-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 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 (7 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GRIA1 2760/4885GRIA2 3654/4885GRIA3 3333/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GRIA1 2760/4885GRIA2 3654/4885GRIA3 3333/4885
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS SLC5A1, SLC5A2, GLP1R GRIA1 572/4885GRIA2 639/4885GRIA3 865/4885
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS GRIA1 2636/4885GRIA2 3313/4885GRIA3 2553/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GRIA1 2760/4885GRIA2 3654/4885GRIA3 3333/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 GRIA1 2063/4885GRIA2 2545/4885GRIA3 2883/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GRIA1 2760/4885GRIA2 3654/4885GRIA3 3333/4885

“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.