Sugi Predict

Sugi Predict / Compounds / SCHEMBL5031396

SCHEMBL5031396

SCHEMBL5031396

Brc1cccc2oc(Cc3cc4c(Br)cccc4o3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ F2RL3 Q96RI0 1/20 0.34
▸ SLC22A12 Q96S37 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 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
SCHEMBL8441084 0.85 HDAC6 (0.38) LOXL2MAOAMAOBPPARGLMNA
SCHEMBL1850465 0.82 CYP11B1 (0.37) CYP11B1CYP11B2MAOAMAOBPPARG
SCHEMBL31248552 0.82 PPARG (0.37) LOXL2PPARGSLC22A12MEN1KMT2A
SCHEMBL1849888 0.79 GPR52 (0.51) MAOBALDH1A1CYP1A2POLBCYP3A4
SCHEMBL1851282 0.79 PARP1 (0.38) CYP11B1CYP11B2LMNATSHRMAPK1
SCHEMBL3219661 0.79 CYP11B1 (0.35) CYP11B1CYP11B2LMNATSHRMAPK1
SCHEMBL31248498 0.78 PPARG (0.35) PPARGF2RL3SLC22A12RAB9AALDH1A1
SCHEMBL16632533 0.77 MAOA (0.37) LOXL2MAOAMAOBF2RL3GABRP
SCHEMBL5545134 0.77 AGXT (0.34) LOXL2PPARGSLC22A12GABRPGABRD
SCHEMBL29208144 0.75 MEN1 (0.36) LOXL2MAOAMAOBF2RL3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 — — US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 — — US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 — — US disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 — — 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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CYP11B1 332/4885CYP11B2 345/4885LOXL2 2970/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CYP11B1 332/4885CYP11B2 345/4885LOXL2 2970/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CYP11B1 332/4885CYP11B2 345/4885LOXL2 2970/4885

“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.