SCHEMBL5501432

SCHEMBL5501432

Oc1ccc2occc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 1/20 0.34
CYP2A6 P11509 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FTO Q9C0B1 2/20 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
SCHEMBL28636765 0.74 ALDH1A1 (0.42) MAOAMAOBNFKB1ALDH1A1CYP3A4
SCHEMBL5497618 0.74 CYP3A4 (0.39) MAOAMAOBNFKB1ALDH1A1CYP3A4
SCHEMBL5986568 0.74 MAOA (0.36) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL2269866 0.74 KDM4E (0.47) MAOAMAOBNFKB1ALDH1A1CYP3A4
SCHEMBL17221561 0.74 MAOA (0.36) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL23918657 0.74 ALDH1A1 (0.39) MAOAMAOBNFKB1ALDH1A1CYP3A4
SCHEMBL4429415 0.72 PAX8 (0.48) MAOAMAOBNFKB1ALDH1A1CYP3A4
SCHEMBL2367630 0.70 POLB (0.56) POLBALDH1A1KDM4EESR1ESR2
SCHEMBL30081125 0.70 POLB (0.56) POLBALDH1A1KDM4EESR1ESR2
SCHEMBL6194067 0.69 ERN1 (0.47) MAOAMAOBNFKB1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677616-B Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-10-18 CN disclosed
WO-2023078127-A1 MACROCYCLIC SULFONAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 中国药科大学 2023-05-11 WO disclosed
CN-115677616-A Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2023-02-03 CN disclosed
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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 (1 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B POLB 2493/4885MAOA 94/4885MAOB 35/4885

“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.