Sugi Predict

Sugi Predict / Compounds / SCHEMBL73179

SCHEMBL73179

SCHEMBL73179

[CH2]C=Cc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.65
▸ PTGS1 P23219 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ NQO2 P16083 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 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
SCHEMBL73178 1.00 RELA (0.65) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL17391475 0.93 RELA (0.57) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL29842519 0.85 RELA (0.86) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL5552166 0.85 RELA (0.86) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL5050698 0.85 RELA (0.86) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL5552162 0.85 RELA (0.86) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL5050695 0.85 RELA (0.86) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL10740992 0.85 RELA (0.59) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL10740995 0.85 RELA (0.59) RELAPTGS1ALDH1A1NQO2MAPT
SCHEMBL5548827 0.81 RELA (0.78) RELAPTGS1ALDH1A1NQO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 — — US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 — — EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 — — WO claimed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 — — US claimed
CN-109511264-B Polymethine compounds 株式会社艾迪科 2021-06-08 — — CN disclosed
WO-2020218297-A1 POLYMETHINE COMPOUND 株式会社ADEKA 2020-10-29 — — WO disclosed
WO-2020162335-A1 XANTHENE COMPOUND 株式会社ADEKA 2020-08-13 — — WO disclosed
US-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-10-04 — — US disclosed
US-10071099-B2 Medicament for suppressing malignant tumor metastasis NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-09-11 — — US disclosed
US-9657039-B2 Production method for alkoxysilanes NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2017-05-23 — — US disclosed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 — — EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — US disclosed
EP-0564928-B1 Phenylacetic acid derivatives, their preparation and use as pesticides BASF AG (DE) 1997-01-15 — — EP disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 — — EP disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 — — EP disclosed
US-5389619-A Fungicide, insecticide and miticide; phenylacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-02-14 — — US disclosed
EP-0564928-A2 Phenylacetic acid derivatives, their preparation and use as pesticides BASF Aktiengesellschaft (DE) 1993-10-13 — — EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 — — EP disclosed
US-4055652-A 1-[β(R-thio)phenethyl]imidazoles and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1977-10-25 — — 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-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY AGTR2, AGTR1, REN RELA 497/4885PTGS1 153/4885ALDH1A1 1765/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 RELA 1395/4885PTGS1 956/4885ALDH1A1 2036/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 RELA 1395/4885PTGS1 956/4885ALDH1A1 2036/4885

“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.