SCHEMBL13786439

SCHEMBL13786439

CCCCOc1cc(Br)ccc1/C=N/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL14221634 0.93 MAOB (0.46) MAOBHPGDTSHRALDH1A1GAA
SCHEMBL13971180 0.88 HPGD (0.45) MAOBHPGDTSHRALDH1A1GAA
SCHEMBL1878476 0.88 HPGD (0.50) MAOBHPGDTSHRALDH1A1GAA
SCHEMBL14206353 0.87 GAA (0.46) MAOBHPGDALDH1A1GAAMAPT
SCHEMBL13971346 0.87 HPGD (0.44) MAOBHPGDTSHRALDH1A1GAA
SCHEMBL13786667 0.86 ALDH1A1 (0.48) MAOBALDH1A1GAAMAPTLMNA
SCHEMBL13786603 0.84 MAOB (0.53) MAOBHPGDALDH1A1GAAMAPT
SCHEMBL13971076 0.84 GAA (0.46) MAOBHPGDTSHRALDH1A1GAA
SCHEMBL4430797 0.81 MAOB (0.60) MAOBLMNASMN1; SMN2RAB9A
SCHEMBL13886069 0.81 MAOB (0.60) MAOBLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 — — US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — US disclosed
WO-2008061238-A2 PROCESSES FOR PRODUCTION OF 4-BIPHENYLYAZETIDIN-2-ONES IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-22 — — 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 (2 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MAOB 1740/4885HPGD 298/4885TSHR 3960/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MAOB 457/4885HPGD 57/4885TSHR 4408/4885

“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.

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