SCHEMBL4469931

SCHEMBL4469931

C[N]C(=O)C(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
KCNN4 O15554 4/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
OPRK1 P41145 2/20 0.35
KCNH2 Q12809 2/20 0.35
ADRA1A P35348 1/20 0.35
CES1 P23141 1/20 0.32
KCNA3 P22001 2/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
NR1I2 O75469 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TRPM2 O94759 1/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL7901027 0.83 KCNN4 (0.42) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL12264172 0.69 CASP1 (0.44) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL28773064 0.68 KIF11 (0.38) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL27824023 0.67 KCNN4 (0.53) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL1701240 0.66 KCNN4 (0.53) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL11849509 0.65 KCNN4 (0.51) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL11437754 0.63 KCNN4 (0.40) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL13427579 0.63 KCNN4 (0.48) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL11278048 0.63 KMT2A (0.48) KIF11KCNN4CES1CYP1A2ALDH1A1
SCHEMBL5967507 0.63 KCNN4 (0.49) KIF11KCNN4HTR2AHTR2COPRK1

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 6 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-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
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

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 KIF11 4265/4885KCNN4 18/4885HTR2A 1988/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KIF11 4265/4885KCNN4 18/4885HTR2A 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.