SCHEMBL1156693

SCHEMBL1156693

COC(=O)c1c[nH]c(Br)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 6/20 0.52
▸ AXL P30530 1/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ SLC6A3 Q01959 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CFTR P13569 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL1156113 0.84 JAK2 (0.52) LMNAALDH1A1RAB9AMAPTGAA
SCHEMBL1156222 0.83 NR4A2 (0.57) NR4A2AXLCREBBPLMNAHTT
SCHEMBL10937622 0.78 NR4A2 (0.49) NR4A2AXLCREBBPLMNAHTT
SCHEMBL26553256 0.75 LMNA (0.48) NR4A2AXLCREBBPLMNAHTT
SCHEMBL28289664 0.74 FABP4 (0.55) LMNAHTTSLC6A3ALDH1A1MAPT
SCHEMBL1156350 0.73 ALDH1A1 (0.59) NR4A2AXLCREBBPLMNAHTT
SCHEMBL1156403 0.73 NR4A2 (0.49) NR4A2AXLCREBBPLMNAMAP2K1
SCHEMBL1278347 0.72 NR4A2 (0.56) NR4A2AXLCREBBPHTTSLC6A3
SCHEMBL21056612 0.72 NR4A2 (0.56) NR4A2AXLCREBBPHTTSLC6A3
Dimethyl Phthalate SCHEMBL3686830 0.72 TSHR (0.63) NR4A2AXLLMNASLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 — — EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 — — US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 — — EP disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 — — US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 — — US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 — — 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NR4A2 1498/4885AXL 2108/4885CREBBP 2399/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NR4A2 1507/4885AXL 2350/4885CREBBP 2233/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 NR4A2 554/4885AXL 4087/4885CREBBP 1375/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NR4A2 1482/4885AXL 2077/4885CREBBP 2430/4885

“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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