Sugi Predict

Sugi Predict / Compounds / SCHEMBL421797

SCHEMBL421797

SCHEMBL421797

[CH2]c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ CYP19A1 P11511 2/20 0.56
▸ MAOA P21397 2/20 0.56
▸ RELA Q04206 3/20 0.50
▸ TRPA1 O75762 2/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CHAT P28329 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44

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
SCHEMBL421796 1.00 MAOB (0.56) MAOBNFE2L2CYP19A1MAOARELA
(Z)-1,2-Diphenylethene SCHEMBL7653147 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL44504 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
Benzene SCHEMBL28132813 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL11547655 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL14166008 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL11547654 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL83955 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL22164138 0.85 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL27371792 0.83 ALDH1A1 (0.46) MAOBNFE2L2CYP19A1MAOARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 — — EP claimed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 — — CN disclosed
CN-111556872-A Synthesis of boronic ester derivatives and uses thereof 梅琳塔治疗公司 2020-08-18 — — CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 — — EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 — — US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 — — EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 — — US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 — — US disclosed
US-6713455-B2 A BICYCLIC HETEROAROMATIC COMPOUND CONTAINING TWO KETO, TWO ESTER, A CARBAMATE GROUPS AND A METHYL, HYDROXY AND AMINE SUBSTITUTED OXYPYRAN RING; USEFUL ANTIBACTERIAL AGENT FOR TREATING PNEUMONIA, SKIN, SOFT TISSUE AND BONE INFECTIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 — — US disclosed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 — — US disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
EP-0873997-A1 Teicoplanin derivatives ELI LILLY AND COMPANY (US) 1998-10-28 — — 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 (6 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 MAOB 1658/4885NFE2L2 1017/4885CYP19A1 1496/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAOB 2140/4885NFE2L2 846/4885CYP19A1 3120/4885
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 MAOB 3281/4885NFE2L2 3904/4885CYP19A1 1945/4885
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 MAOB 3011/4885NFE2L2 2057/4885CYP19A1 777/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 MAOB 1421/4885NFE2L2 2177/4885CYP19A1 2588/4885
US-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 MAOB 1334/4885NFE2L2 827/4885CYP19A1 1011/4885

“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.