Sugi Predict

Sugi Predict / Compounds / SCHEMBL405156

SCHEMBL405156

SCHEMBL405156

O=C(O)c1ccccc1C=C(Br)Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HMGB1 P09429 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL2401353 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL8058928 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL70201 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL8580453 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL70202 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL8902281 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL937372 0.77 ALDH1A1 (0.45) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL9068444 0.77 ALDH1A1 (0.45) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL6913155 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL20448823 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4EHPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373482-B A kind of preparation method of 3- alkynyl isocoumarin class compound 遵义医学院 2019-12-03 — — CN claimed
CN-108373482-A A kind of preparation method of 3- alkynyls isocoumarin class compound 遵义医学院 2018-08-07 — — CN claimed
CN-108373482-B A kind of preparation method of 3- alkynyl isocoumarin class compound 遵义医学院 2019-12-03 — — CN disclosed
CN-108373482-B A kind of preparation method of 3- alkynyl isocoumarin class compound 遵义医学院 2019-12-03 — — CN disclosed
CN-108373482-A A kind of preparation method of 3- alkynyls isocoumarin class compound 遵义医学院 2018-08-07 — — CN disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 — — EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 — — EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 — — US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 — — US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 — — US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 — — US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 — — EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 — — US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 — — EP disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 — — 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885KDM4E 4327/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885KDM4E 4327/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885KDM4E 4327/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885KDM4E 4327/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885KDM4E 4327/4885

“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.