SCHEMBL2071022

SCHEMBL2071022

COc1[c][nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL4924573 0.79 GABRP (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL1401293 0.76 LTA4H (0.41) ALDH1A1KDM4EMAPTHSD17B10KMT2A
SCHEMBL4921051 0.76 GABRP (0.47) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL16600691 0.76 SLC22A6 (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL10626970 0.72 GABRP (0.47) SMN1; SMN2MAPK1MAPTHSD17B10GABRP
SCHEMBL546371 0.71 CYP1A2 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL6162726 0.71 ABCG2 (0.42) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL5757538 0.70 GABRP (0.33) KDM4ESMN1; SMN2MAPK1MAPTHSD17B10
SCHEMBL3235994 0.69 MAPK1 (0.40) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL4919214 0.68 NR4A2 (0.50) ALDH1A1KDM4EMAPK1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 US claimed
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US claimed
US-5124328-A Animal growth antidepressants regulators MERCK & CO., INC. (US) 1992-06-23 US claimed
US-5077290-A Animal growth regulators, bronchodilators, antidepressants and antiobesity agents MERCK & CO., INC. (US) 1991-12-31 US claimed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US claimed
WO-2023232143-A1 PHOSPHORUS COMPOUND AND USE THEREOF 南京施江医药科技有限公司 2023-12-07 WO disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US disclosed
US-8080573-B2 Heterocycle substituted amide and sulfur amide derivatives as histone deacetylase (hdac) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-12-20 US disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO disclosed
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US 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-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ALDH1A1 66/4885KDM4E 2645/4885SMN1; SMN2 1837/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E ALDH1A1 2052/4885KDM4E 737/4885SMN1; SMN2 4111/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885KDM4E 2790/4885SMN1; SMN2 3339/4885

“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.