Sugi Predict

Sugi Predict / Compounds / SCHEMBL1389047

SCHEMBL1389047

SCHEMBL1389047

N#Cn1c2ccccc2oc(=O)oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MIF P14174 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PGAM1 P18669 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL339615 0.71 MAOA (0.57) HPGDMAPK1TSHRUSP2ALDH1A1
SCHEMBL30205812 0.71 MAOA (0.57) HPGDMAPK1TSHRUSP2ALDH1A1
SCHEMBL9943604 0.70 KDM4E (0.46) HPGDMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9261893 0.69 POLB (0.44) HPGDMAPK1TSHRUSP2ALDH1A1
SCHEMBL7015170 0.68 ALDH1A1 (0.51) HPGDMAPK1TSHRUSP2ALDH1A1
SCHEMBL29940205 0.68 GPR3 (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3890065 0.68 GPR3 (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL32665750 0.68 GPR3 (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL31236317 0.66 MAPK1 (0.66) HPGDMAPK1TSHRUSP2ALDH1A1
SCHEMBL11289864 0.66 TSHR (0.51) HPGDMAPK1TSHRUSP2ALDH1A1

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
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 — — US claimed
JP-H08505862-A — — 1996-06-25 — — JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO claimed
CN-109790181-B Bridged piperidine derivatives 豪夫迈·罗氏有限公司 2021-05-28 — — CN disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 — — CN disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 — — US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 — — US disclosed
EP-1163239-B1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-28 — — EP disclosed
EP-1228060-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-08-07 — — EP disclosed
EP-1163239-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS Boehringer Ingelheim Pharma KG (DE) 2001-12-19 — — EP disclosed
US-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 — — US disclosed
WO-2001032649-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 — — WO disclosed
WO-2000055154-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 — — WO disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 — — US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 — — US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — 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 (1 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 HPGD 2038/4885MAPK1 2073/4885TSHR 395/4885

“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.