SCHEMBL3555309

SCHEMBL3555309

COC(=O)c1cc(OC2CCOc3cc(F)cc(F)c32)c2nc(C)n(C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
TNF P01375 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3557992 0.91 NR1H4 (0.32)
SCHEMBL3268386 0.91 PLK1 (0.35) MAPTNPC1RAB9ACYP3A4ABL1
SCHEMBL3559587 0.89 FFAR1 (0.32)
SCHEMBL3554871 0.87 FFAR1 (0.33) LMNAALDH1A1HPGDMEN1GAA
SCHEMBL3552055 0.87 PKM (0.33) LMNAALDH1A1MEN1GAAKMT2A
SCHEMBL3564317 0.85
SCHEMBL14520472 0.85 PIK3CB (0.32)
SCHEMBL13983565 0.83
SCHEMBL3553413 0.81 SYK (0.35) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL4756392 0.81

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-7718809-B2 Chromane substituted benzimidazole derivatives as acid pump antagonists RAQUALIA PHARMA INC. (JP) 2010-05-18 US disclosed
EP-1893197-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS RAQUALIA PHARMA INC (JP) 2009-09-09 EP disclosed
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2008-09-04 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-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 LMNA 4444/4885MAPT 4797/4885ALDH1A1 2368/4885

“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.