Sugi Predict

Sugi Predict / Compounds / SCHEMBL645287

SCHEMBL645287

SCHEMBL645287

O=[N+]([O-])c1[c]cc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPRT1 P00492 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HNF4A P41235 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL1128345 0.72 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRTDP1HPRT1
SCHEMBL5581181 0.70 MEN1 (0.35) ALDH1A1TSHRTDP1LMNAMEN1
SCHEMBL3384539 0.69 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRTDP1HPRT1
SCHEMBL11203665 0.69 CASP6 (0.59) CYP3A4ALDH1A1TSHRTDP1HPRT1
SCHEMBL31549326 0.69 CASP6 (0.59) CYP3A4ALDH1A1TSHRTDP1HPRT1
SCHEMBL2886629 0.68 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRTDP1CASP6
SCHEMBL15063688 0.68 POLB (0.41) ALDH1A1TSHRLMNAMAPT
Anthracene SCHEMBL27535343 0.67 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHRTDP1HPRT1
SCHEMBL2208121 0.67 HSD17B10 (0.42) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL456947 0.67 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 — — CN disclosed
CN-107311889-B Compound and method for producing same 东京应化工业株式会社 2022-01-14 — — CN disclosed
CN-105829485-B Photocurable composition with adhesiveness 思美定株式会社 2018-10-12 — — CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 — — EP disclosed
CN-107835871-A Methods and compositions for peptide cyclization and protease treatment 豪夫迈·罗氏有限公司 2018-03-23 — — CN disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 — — US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 — — CN disclosed
CN-105829485-A Photocurable Composition Having Adhesive Properties 思美定株式会社 2016-08-03 — — CN disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 — — EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 — — US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 — — EP disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 — — CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 — — US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 — — EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 — — US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 — — EP disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 — — US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 — — WO disclosed
US-4098896-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1978-07-04 — — US disclosed
US-3968102-A VASODILATOR, ANTICOAGULANT KOHJIN CO., LTD. (JA) 1976-07-06 — — 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 CYP3A4 1085/4885ALDH1A1 3053/4885TSHR 507/4885
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI CYP3A4 3925/4885ALDH1A1 1571/4885TSHR 4282/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI CYP3A4 3925/4885ALDH1A1 1571/4885TSHR 4282/4885

“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.