SCHEMBL4983306

SCHEMBL4983306

C=CCOc1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.56
PELP1 Q8IZL8 1/20 0.56
VCAM1 P19320 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ERN1 O75460 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30669433 1.00 AR (0.56) ARPELP1VCAM1KDM4EERN1
SCHEMBL7639896 0.90 ALDH1A1 (0.54) ARPELP1VCAM1KDM4EERN1
SCHEMBL8788640 0.88 AR (0.44) ARPELP1KDM4EPOLBRAB9A
SCHEMBL23611055 0.86 AR (0.55) ARPELP1VCAM1ERN1POLB
SCHEMBL221362 0.84 AR (0.61) ARPELP1VCAM1POLBRAB9A
SCHEMBL10318922 0.83 AR (0.57) ARPELP1VCAM1ALDH1A1HPGD
SCHEMBL30669432 0.83 AR (0.57) ARPELP1VCAM1ALDH1A1HPGD
SCHEMBL30432735 0.83 AR (0.60) ARPELP1VCAM1POLBRAB9A
SCHEMBL25227074 0.83 AR (0.60) ARPELP1VCAM1POLBRAB9A
SCHEMBL7567974 0.82 MAPT (0.43) ARPELP1VCAM1KDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105916-B Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-117105916-A Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2023-11-24 CN disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
CN-102421778-A Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO 2012-04-18 CN disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
EP-1501817-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US disclosed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US disclosed
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES ROCHE PALO ALTO LLC. 2003-12-11 US disclosed
WO-2003091236-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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 (3 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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 AR 2423/4885PELP1 3496/4885VCAM1 3970/4885
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES RPS6KA1, RPS6KB1, RPS6KA6 AR 2423/4885PELP1 3496/4885VCAM1 3970/4885
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK AR 1984/4885PELP1 869/4885VCAM1 3239/4885

“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.