SCHEMBL4464386

SCHEMBL4464386

OC(c1ccccc1)(c1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP19A1 P11511 12/20 0.60
AHR P35869 2/20 0.51
CYP3A4 P08684 2/20 0.48
CYP3A5 P20815 2/20 0.48
CNR1 P21554 1/20 0.44

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
SCHEMBL3045407 0.96 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL912495 0.89 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL29410666 0.89 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL2490118 0.87 SMN1; SMN2 (0.75) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL22319803 0.85 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL20323228 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP19A1AHRCYP3A4
SCHEMBL6579906 0.81 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1CYP19A1AHR
SCHEMBL23610056 0.81 MEN1 (0.57) SMN1; SMN2L3MBTL1CYP19A1AHR
SCHEMBL18635639 0.81 CYP19A1 (0.50) SMN1; SMN2L3MBTL1CYP19A1AHR
SCHEMBL31143610 0.81 MEN1 (0.57) SMN1; SMN2L3MBTL1CYP19A1AHR

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 14 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
CN-1249018-C Triaryl methane compounds for sickle cell disease HARVARD COLLEGE (US) 2006-04-05 CN 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
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN 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 SMN1; SMN2 4372/4885L3MBTL1 1525/4885CYP19A1 2983/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO SMN1; SMN2 915/4885L3MBTL1 1785/4885CYP19A1 3634/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO SMN1; SMN2 915/4885L3MBTL1 1785/4885CYP19A1 3634/4885

“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.