Sugi Predict

Sugi Predict / Compounds / SCHEMBL1980141

SCHEMBL1980141

SCHEMBL1980141

N#Cc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.58
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MRGPRX4 Q96LA9 6/20 0.49
▸ PTGER1 P34995 1/20 0.46
▸ SLC6A4 P31645 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ PPIA P62937 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL17554783 0.92 MAOB (0.50) MAOBRAB9ASMN1; SMN2MRGPRX4PTGER1
SCHEMBL6061295 0.88 MAOB (0.58) MAOBRAB9ASMN1; SMN2MRGPRX4PTGER1
SCHEMBL2036343 0.85 CYP19A1 (0.57) MAOBRAB9ASLC6A4HPGD
SCHEMBL7167272 0.84 RAB9A (0.52) MAOBRAB9ASMN1; SMN2SLC6A4PTPN1
SCHEMBL1330628 0.83 MAOB (0.62) MAOBMRGPRX4
SCHEMBL8321639 0.82 HTR1A (0.56) MAOBPTGER1
SCHEMBL8676493 0.82 MAOB (0.55) MAOBRAB9AMRGPRX4PTGER1SLC6A4
SCHEMBL214965 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1060980 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL7129137 0.81 MAOB (0.58) MAOBRAB9ASMN1; SMN2MRGPRX4PTGER1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022197877-A1 METHODS AND COMPOSITIONS FOR TIME DELAYED BIO-ORTHOGONAL RELEASE OF CYTOTOXIC AGENTS GENENTECH, INC. (US) 2022-09-22 — — WO disclosed
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 — — US disclosed
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 — — US disclosed
US-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 — — US disclosed
US-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 — — US disclosed
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 — — EP disclosed
US-20180338974-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-11-29 — — US disclosed
US-10058551-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2018-08-28 — — US disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 — — US disclosed
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 — — US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 — — CN disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — WO disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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 (8 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAOB 3492/4885RAB9A 2282/4885SMN1; SMN2 4151/4885
US-20180338974-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MAOB 1650/4885RAB9A 1989/4885SMN1; SMN2 2526/4885
US-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MAOB 1650/4885RAB9A 1989/4885SMN1; SMN2 2526/4885
US-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 MAOB 1650/4885RAB9A 1989/4885SMN1; SMN2 2526/4885
US-10058551-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 MAOB 1650/4885RAB9A 1989/4885SMN1; SMN2 2526/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAOB 3507/4885RAB9A 2225/4885SMN1; SMN2 4213/4885
US-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MAOB 1650/4885RAB9A 1989/4885SMN1; SMN2 2526/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 MAOB 45/4885RAB9A 1607/4885SMN1; SMN2 3953/4885

“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.