SCHEMBL2392141

SCHEMBL2392141

N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.53
KCNA3 P22001 3/20 0.41
TSHR P16473 4/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP19A1 P11511 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
OPRK1 P41145 2/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 2/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 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
SCHEMBL28614337 0.79 KCNN4 (0.48) KCNN4KCNA3TSHRDRD2DRD4
SCHEMBL1444134 0.77 ATM (0.45) KCNN4KCNA3TSHRDRD2DRD4
SCHEMBL2391883 0.75 KCNN4 (0.46) KCNN4TSHRDRD2DRD4OPRM1
SCHEMBL11496292 0.75 CYP3A4 (0.36) KCNN4TSHRDRD2DRD4OPRM1
SCHEMBL2390778 0.74 KIF11 (0.44) TSHROPRM1DRD3CYP19A1KCNH2
SCHEMBL1864749 0.74 KCNN4 (0.57) KCNN4KCNA3TSHRDRD2DRD4
SCHEMBL8157067 0.73 KCNN4 (0.61) KCNN4KCNA3TSHRDRD2DRD4
SCHEMBL13865449 0.72 VCAM1 (0.48) TSHRCYP3A4CYP2D6LMNAMEN1
SCHEMBL1605524 0.72 KCNN4 (0.41) KCNN4KCNA3TSHRDRD2DRD4
SCHEMBL31364199 0.71 KCNN4 (0.59) KCNN4KCNA3TSHRDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911308-A2 METHODS OF TREATING TYROSINE KINASE INHIBITOR-INDUCED DIARRHEA The Regents of the University of California (US) 2021-11-24 EP claimed
WO-2020150517-A2 METHODS OF TREATING TYROSINE KINASE INHIBITOR-INDUCED DIARRHEA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-23 WO claimed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US claimed
EP-1248614-A4 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO UNIV CALIFORNIA (US) 2005-05-04 EP claimed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 US claimed
EP-1248614-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO The Regents of The University of California (US) 2002-10-16 EP claimed
WO-2001049663-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-07-12 WO claimed
CN-117180260-A Deoxyflavonoid-based T lymphocyte activity inhibition composition 杭州卢特康生物科技有限公司 2023-12-08 CN disclosed
EP-3911308-A2 METHODS OF TREATING TYROSINE KINASE INHIBITOR-INDUCED DIARRHEA The Regents of the University of California (US) 2021-11-24 EP disclosed
WO-2020150517-A2 METHODS OF TREATING TYROSINE KINASE INHIBITOR-INDUCED DIARRHEA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-23 WO disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 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
WO-2001049663-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-07-12 WO 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 (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-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885KCNA3 46/4885TSHR 3285/4885

“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.