Sugi Predict

Sugi Predict / Compounds / SCHEMBL5899451

SCHEMBL5899451

SCHEMBL5899451

COC(=O)c1cc(Br)ccc1NC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ GAA P10253 2/20 0.65
▸ HTT P42858 1/20 0.51
▸ NR4A2 P43354 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CDK1 P06493 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
SCHEMBL3990612 0.87 ABCG2 (0.56) ALDH1A1GAAHTTNR4A2SMN1; SMN2
SCHEMBL29476211 0.87 ABCG2 (0.56) ALDH1A1GAAHTTNR4A2SMN1; SMN2
SCHEMBL796957 0.84 ALDH1A1 (0.73) ALDH1A1GAAHTTSMN1; SMN2NPC1
SCHEMBL111313 0.83 ALDH1A1 (0.76) ALDH1A1HTTHSD17B10KDM4EMAPT
SCHEMBL21198945 0.83 ALDH1A1 (0.60) ALDH1A1GAAHTTNR4A2SMN1; SMN2
SCHEMBL1025962 0.83 CA12 (0.62) ALDH1A1GAASMN1; SMN2LMNANPC1
SCHEMBL4604562 0.83 ALDH1A1 (0.60) ALDH1A1GAAHTTLMNAKDM4E
SCHEMBL22636373 0.83 ALDH1A1 (0.64) ALDH1A1GAAHTTNR4A2SMN1; SMN2
SCHEMBL29441245 0.83 ALDH1A1 (0.60) ALDH1A1GAAHTTLMNAKDM4E
SCHEMBL29441244 0.83 ALDH1A1 (0.64) ALDH1A1GAAHTTNR4A2SMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133748-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 — — WO disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 — — US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 — — US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 — — US disclosed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 — — US disclosed
US-20060229324-A1 Quinazolin-4-one derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-10-12 — — US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 — — EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 — — US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 — — EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 — — US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 — — EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 — — EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 — — WO disclosed
EP-0727412-B1 Process for the preparation of 2,6-dichloro-4-bromoanilides DOW AGROSCIENCES LLC (US) 2000-05-17 — — EP disclosed
EP-0500156-B1 Process for the preparation of 2-chloro and 2,6-dichloroanilines DOWELANCO (US) 1996-11-20 — — EP disclosed
EP-0727412-A2 Process for the preparation of 2,6-dichloro-4-bromoanilides DOWELANCO (US) 1996-08-21 — — EP disclosed
EP-0500156-A1 Process for the preparation of 2-chloro and 2,6-dichloroanilines DOWELANCO (US) 1992-08-26 — — EP disclosed
US-5068392-A Multistage reaction starting with an anilide and brominating, followed by chlorination then deacylation with a reducing agen t and hydrolyzing DOWELANCO (US) 1991-11-26 — — 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 (4 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT ALDH1A1 857/4885GAA 303/4885HTT 495/4885
US-20060229324-A1 Quinazolin-4-one derivatives HPGDS, PTGS1, PTGDR ALDH1A1 906/4885GAA 4110/4885HTT 4273/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT ALDH1A1 857/4885GAA 303/4885HTT 495/4885
US-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 ALDH1A1 994/4885GAA 2793/4885HTT 588/4885

“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.