Sugi Predict

Sugi Predict / Compounds / SCHEMBL793032

SCHEMBL793032

SCHEMBL793032

COc1ccccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.73
▸ TLR4 O00206 1/20 0.66
▸ TLR2 O60603 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ S1PR4 O95977 1/20 0.56
▸ ITGA4 P13612 1/20 0.56
▸ S1PR1 P21453 1/20 0.56
▸ TLR9 Q9NR96 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ MITF O75030 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ NFE2L2 Q16236 4/20 0.54

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
SCHEMBL27394119 1.00 PRMT1 (0.73) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL793033 1.00 PRMT1 (0.73) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL3068651 0.86 PRMT1 (0.74) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL3068655 0.86 PRMT1 (0.74) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL1011169 0.85 PRMT1 (1.00) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL10466720 0.85 PRMT1 (0.72) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL10466719 0.85 PRMT1 (0.72) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL1011167 0.85 PRMT1 (1.00) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL3775942 0.83 PRMT1 (0.70) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL8321676 0.83 PRMT1 (0.70) PRMT1TLR4TLR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 — — US disclosed
CN-111848678-A Phosphorus-containing thienopyrimidine derivatives 正大天晴药业集团股份有限公司 2020-10-30 — — CN disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 — — WO disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
US-8754252-B2 Asymmetric cyclization processes using unsaturated nitro compounds NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-06-17 — — US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 — — US disclosed
US-20110040104-A1 ORGANOCATALYST NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2011-02-17 — — US disclosed
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-25 — — US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 — — EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 — — WO disclosed
EP-0923581-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-06-23 — — EP disclosed
US-5763470-A Benzopyran compounds and methods for their use SUGEN INC. (US) 1998-06-09 — — US disclosed
WO-1998006719-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-02-19 — — WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 — — EP disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 — — WO disclosed
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 — — 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 (5 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX PRMT1 674/4885TLR4 51/4885TLR2 41/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PRMT1 674/4885TLR4 51/4885TLR2 41/4885
US-20110040104-A1 ORGANOCATALYST C1S, C5, H1-0 PRMT1 501/4885TLR4 2270/4885TLR2 3197/4885
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 PRMT1 918/4885TLR4 3796/4885TLR2 3255/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PRMT1 304/4885TLR4 4861/4885TLR2 4846/4885

“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.