SCHEMBL3633350

SCHEMBL3633350

C=CC(=O)c1cc(Br)c(OCc2ccc(OC)cc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.52
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMPD1 P17405 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ FFAR1 O14842 3/20 0.44
▸ APP P05067 1/20 0.44
▸ THRA P10827 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ PLA2G4B P0C869 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL3237857 0.84 MAOB (0.55) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL3632462 0.77 FFAR1 (0.47) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL3629871 0.77 NPC1 (0.59) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL3354489 0.76 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2POLBSMPD1
SCHEMBL2312758 0.75 LMNA (0.49) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL27453865 0.74 TNFRSF1A (0.54) TNFRSF1ARAB9ANPC1SMN1; SMN2SMPD1
SCHEMBL3631073 0.73 TUBB4A (0.50) TNFRSF1ARAB9ANPC1MAPTALDH1A1
SCHEMBL3633352 0.73 NPC1 (0.48) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL3632464 0.73 TNFRSF1A (0.50) TNFRSF1ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL546672 0.72 F3 (0.59) TNFRSF1ARAB9AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 — — EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — WO disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — 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 (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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 TNFRSF1A 3077/4885RAB9A 1161/4885NPC1 228/4885

“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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