Sugi Predict

Sugi Predict / Compounds / SCHEMBL3100920

SCHEMBL3100920

SCHEMBL3100920

[CH2]/C=C/c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.53
▸ CHAT P28329 5/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3100921 1.00 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706700 0.85 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706694 0.85 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706687 0.85 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10742158 0.85 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10742163 0.85 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437274 0.83 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437275 0.83 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL4626594 0.81 RXRA (0.57) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL4626591 0.81 RXRA (0.57) RXRACHATHDAC8HDAC6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 — — US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 — — US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 — — EP claimed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 — — US claimed
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
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 — — US claimed
CN-114656380-B Method for simply synthesizing allyl thiomethyl ether 南阳师范学院 2023-06-02 — — CN disclosed
CN-114656380-A Method for simply synthesizing allyl methyl sulfide 南阳师范学院 2022-06-24 — — CN disclosed
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-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 — — US disclosed
EP-0353047-B1 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1994-10-05 — — EP disclosed
US-5232939-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1993-08-03 — — US disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
EP-0353047-A2 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents Sankyo Company Limited (JP) 1990-01-31 — — EP 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 RXRA 1921/4885CHAT 4832/4885HDAC8 1386/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 RXRA 556/4885CHAT 2754/4885HDAC8 856/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 RXRA 2018/4885CHAT 4547/4885HDAC8 1621/4885

“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.