SCHEMBL4464494

SCHEMBL4464494

COc1ccc(Cc2ccc3ccccc3c2C(Cl)c2c(Cc3ccc(OC)cc3)ccc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
LTA4H P09960 1/20 0.46
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL383153 0.80 MEN1 (0.52) CYP11B1CYP11B2LTA4HMAOBMEN1
SCHEMBL10585037 0.78
SCHEMBL2355103 0.74 LTA4H (0.71) CYP11B1CYP11B2LTA4HMAOBMEN1
SCHEMBL29041232 0.73 CYP11B1 (0.48) CYP11B1CYP11B2LTA4HMAOBMEN1
SCHEMBL4457613 0.73 LTA4H (0.55) CYP11B1CYP11B2LTA4HMAOB
SCHEMBL29162297 0.73 CYP11B1 (0.45) CYP11B1CYP11B2LTA4HMAOBMEN1
SCHEMBL24953223 0.72 CA1 (0.44) MEN1KMT2ATDP1L3MBTL1
SCHEMBL29625698 0.72 CA1 (0.44) MEN1KMT2ATDP1L3MBTL1
SCHEMBL28261765 0.71 CYP11B1 (0.49) CYP11B1CYP11B2LTA4HMAOB
SCHEMBL28251912 0.71 LTA4H (0.72) CYP11B1CYP11B2LTA4HMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
EP-0918514-B9 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2006-07-05 EP disclosed
EP-0918514-B1 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2005-12-28 EP disclosed
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2004-07-01 US disclosed
US-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
US-6495567-B1 REDUCING CHLORIDE SECRETION; PREVENTING DEHYDRATION, ACIDOSIS, DEATH AND IMPAIRED GROWTH BETH ISRAEL DEACONESS MEDICAL CENTER 2002-12-17 US disclosed
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 US disclosed
US-6331564-B1 TREATING DIARRHEA CAUSED BY INFLAMMATORY BOWEL DISEASE, AUTOIMMUNE DISEASES SUCH AS LUPUS, GLOMERULONEPHRITIS ION PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0918514-A4 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE HARVARD COLLEGE (US) 2001-05-09 EP disclosed
US-6028103-A Triaryl methane compounds and analogues thereof useful for the treatment or prevention of sickle cell disease or diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-02-22 US disclosed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 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 (3 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-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds SLC10A2, VIP, CLCN2 CYP11B1 317/4885CYP11B2 358/4885LTA4H 752/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO CYP11B1 100/4885CYP11B2 135/4885LTA4H 836/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO CYP11B1 100/4885CYP11B2 135/4885LTA4H 836/4885

“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.