SCHEMBL4481798

SCHEMBL4481798

Oc1ccc(C(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
ACP3 P15309 1/20 0.47
IDO1 P14902 4/20 0.46
TDO2 P48775 4/20 0.46
IDO2 Q6ZQW0 2/20 0.46
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 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
SCHEMBL7917310 0.96 ALDH1A1 (0.55) TDP1ALDH1A1KMT2AGAAACP3
2-Chlorophenyl-Bisphenylmethane(Major) SCHEMBL41575 0.88 IDO1 (0.55) TDP1ALDH1A1KMT2AGAAACP3
2-Chlorophenyl-Bisphenylmethane(Major) SCHEMBL29279416 0.86 IDO1 (0.57) TDP1ALDH1A1KMT2AACP3IDO1
SCHEMBL1758062 0.81 TDP1 (0.64) TDP1ALDH1A1KMT2AGAAIDO1
SCHEMBL12221116 0.81 IDO1 (0.46) TDP1ALDH1A1KMT2AGAAACP3
SCHEMBL22694327 0.79 IDO1 (0.56) TDP1ALDH1A1KMT2AGAAIDO1
SCHEMBL36791 0.79 IDO1 (0.56) TDP1ALDH1A1KMT2AGAAIDO1
SCHEMBL19314626 0.79 IDO1 (0.56) TDP1ALDH1A1KMT2AGAAIDO1
SCHEMBL982047 0.79 IDO1 (0.56) TDP1ALDH1A1KMT2AGAAIDO1
SCHEMBL28546831 0.78 TSHR (0.47) TDP1ALDH1A1KMT2AGAAACP3

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918514-B9 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2006-07-05 EP claimed
CN-1249018-C Triaryl methane compounds for sickle cell disease HARVARD COLLEGE (US) 2006-04-05 CN claimed
EP-0918514-B1 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2005-12-28 EP claimed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US claimed
EP-0918514-A4 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE HARVARD COLLEGE (US) 2001-05-09 EP claimed
EP-1052990-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 2000-11-22 EP claimed
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN claimed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP claimed
WO-1999025347-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 1999-05-27 WO claimed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 WO claimed
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
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
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
WO-1999025347-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 1999-05-27 WO disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 WO disclosed
EP-0781128-A2 CLOTRIMAZOLE METABOLITES IN THE TREATMENT OF SICKLE CELL DISEASE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1997-07-02 EP disclosed
WO-1996008242-A9 CLOTRIMAZOLE METABOLITES IN THE TREATMENT OF SICKLE CELL DISEASE 1996-06-27 WO disclosed
WO-1996008242-A2 CLOTRIMAZOLE METABOLITES IN THE TREATMENT OF SICKLE CELL DISEASE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1996-03-21 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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 TDP1 4201/4885ALDH1A1 2295/4885KMT2A 1345/4885

“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.