SCHEMBL4914162

SCHEMBL4914162

O=C(O)c1ccc(Br)c(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.57
NR4A2 P43354 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
PTGER1 P34995 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RXRA P19793 4/20 0.54
RXRB P28702 3/20 0.54
HPGD P15428 2/20 0.54
RXRG P48443 2/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
TP53 P04637 1/20 0.54
XBP1 P17861 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL14925361 0.88 MAOB (0.59) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL27703695 0.88 MRGPRX4 (0.57) MRGPRX4NR4A2NR4A1NR4A3PTGER1
SCHEMBL20482380 0.87 KMT2A (0.57) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL14914125 0.85 SMPD1 (0.59) MEN1KMT2ARXRAHPGDNPC1
SCHEMBL29556736 0.85 MRGPRX4 (0.62) MRGPRX4NR4A2NR4A1NR4A3PTGER1
SCHEMBL1600077 0.85 MRGPRX4 (0.62) MRGPRX4NR4A2NR4A1NR4A3PTGER1
Hydrochloric Acid SCHEMBL10857748 0.84 MRGPRX4 (0.61) MRGPRX4NR4A2NR4A1NR4A3PTGER1
SCHEMBL642448 0.84 MEN1 (0.63) MRGPRX4NR4A2NR4A1NR4A3PTGER1
SCHEMBL30844598 0.83 SMN1; SMN2 (0.51) MRGPRX4RXRARXRBHPGDRXRG
SCHEMBL2394250 0.83 SMN1; SMN2 (0.51) MRGPRX4RXRARXRBHPGDRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US disclosed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP disclosed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed
EP-1212317-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GlaxoSmithKline S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001002388-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GLAXOSMITHKLINE S.P.A. (IT) 2001-01-11 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 (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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 MRGPRX4 755/4885NR4A2 224/4885NR4A1 179/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN MRGPRX4 1477/4885NR4A2 4411/4885NR4A1 4352/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN MRGPRX4 1477/4885NR4A2 4411/4885NR4A1 4352/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 MRGPRX4 1453/4885NR4A2 412/4885NR4A1 73/4885

“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.