SCHEMBL4469466

SCHEMBL4469466

O=C(Cl)C(Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2C19 P33261 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CNR1 P21554 3/20 0.40
LMNA P02545 3/20 0.40
PMP22 Q01453 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL4457816 0.83 CYP2C19 (0.46) MIFSLC6A2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL4469470 0.83 MIF (0.47) MIFSLC6A2HTR2ASLC6A4HRH1
SCHEMBL11611265 0.78 CYP1A2 (0.50) CYP2C19CYP1A2CYP3A4CYP2C9KIF11
SCHEMBL7470435 0.74 SLC6A4 (0.53) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5177590 0.69 SLC6A4 (0.50) MIFSLC6A2HTR2ASLC6A4HRH1
SCHEMBL11584985 0.69 TSHR (0.50) MIFMEN1KMT2ACYP1A2LMNA
SCHEMBL9184761 0.69 CYP19A1 (0.58) MIFSLC6A2HTR2ASLC6A4HRH1
SCHEMBL4328573 0.68 SLC6A4 (0.55) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL28414084 0.68 PPARG (0.46) MIFSLC6A2HTR2ASLC6A4HRH1
SCHEMBL28780329 0.68 RAB9A (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B

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 10 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-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 (2 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-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO MIF 62/4885SLC6A2 3454/4885HTR2A 1988/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO MIF 62/4885SLC6A2 3454/4885HTR2A 1988/4885

“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.