SCHEMBL3629871

SCHEMBL3629871

COc1ccc(COc2c(Br)cc(C=O)cc2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2A6 P11509 1/20 0.47
▸ MAOB P27338 3/20 0.47
▸ MAOA P21397 2/20 0.47
▸ APP P05067 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.45

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
SCHEMBL3633352 0.86 NPC1 (0.48) NPC1RAB9ATDP1MAPTCYP1A2
SCHEMBL4160507 0.85 MAOB (0.52) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL3631073 0.84 TUBB4A (0.50) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL988304 0.83 RAB9A (0.60) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL22291067 0.82 NPC1 (0.59) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL3955227 0.81 THRA (0.57) RAB9AALDH1A1MAPTLMNAKMT2A
SCHEMBL3639311 0.81 NPC1 (0.66) NPC1RAB9ATDP1ALDH1A1CYP2A6
SCHEMBL3632464 0.81 TNFRSF1A (0.50) NPC1RAB9ATDP1MAPTCYP1A2
SCHEMBL22291225 0.80 L3MBTL1 (0.58) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL28611580 0.80 TUBB1 (0.54) NPC1RAB9ATDP1ALDH1A1MAPT

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
WO-2023125667-A1 PREPARATION OF A COMPOUND FOR THE TREATMENT OF GOUT OR HYPERURICEMIA ARTHROSI THERAPEUTICS, INC. (US) 2023-07-06 — — WO 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
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

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 NPC1 228/4885RAB9A 1161/4885TDP1 4011/4885

“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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