SCHEMBL1348425

SCHEMBL1348425

CN(C)CCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
SIGMAR1 Q99720 5/20 0.71
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
ALOX15 P16050 1/20 0.59
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.53
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
NEK1 Q96PY6 1/20 0.50

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
SCHEMBL6034675 0.92 CA12 (0.74) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL23682867 0.89 CA12 (0.66) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL12570977 0.86 CA12 (0.62) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL6130639 0.86 CA12 (0.81) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL9577239 0.85 SIGMAR1 (0.68) SIGMAR1CA2GAAALDH1A1
SCHEMBL7028080 0.84 TSHR (0.71) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL4065569 0.84 TSHR (0.71) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL3327488 0.84 TSHR (0.71) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL19152453 0.84 TSHR (0.71) TSHRNPSR1SIGMAR1CA12CA2
SCHEMBL19563408 0.84 SIGMAR1 (0.71) TSHRNPSR1SIGMAR1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-12496302-B2 Compositions and methods for the treatment and diagnosis of cancer THE GENERAL HOSPITAL CORPORATION (US) 2025-12-16 US disclosed
US-20240066033-A1 Compositions and Methods for the Treatment and Diagnosis of Cancer BIOVENTURES, LLC 2024-02-29 US disclosed
US-20240066033-A1 Compositions and Methods for the Treatment and Diagnosis of Cancer BIOVENTURES, LLC 2024-02-29 US disclosed
US-20240066033-A1 Compositions and Methods for the Treatment and Diagnosis of Cancer BIOVENTURES, LLC 2024-02-29 US disclosed
US-20240000784-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER BIOVENTURES, LLC 2024-01-04 US disclosed
US-11787781-B2 Inhibiting ataxia telangiectasia and RAD3-related protein (ATR) CELATOR PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-11787781-B2 Inhibiting ataxia telangiectasia and RAD3-related protein (ATR) CELATOR PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
WO-2022032224-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2022-02-10 WO disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 US disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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 (7 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-20240000784-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER RNMT, NSUN2, TRDMT1 TSHR 4043/4885NPSR1 4617/4885SIGMAR1 4092/4885
US-12496302-B2 Compositions and methods for the treatment and diagnosis of cancer NSUN2, RNMT, TRDMT1 TSHR 3879/4885NPSR1 4720/4885SIGMAR1 3765/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 TSHR 1237/4885NPSR1 767/4885SIGMAR1 2544/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT TSHR 1244/4885NPSR1 1021/4885SIGMAR1 2304/4885
US-11787781-B2 Inhibiting ataxia telangiectasia and RAD3-related protein (ATR) ATR, CHEK2, CHEK1 TSHR 3819/4885NPSR1 4801/4885SIGMAR1 4777/4885
US-20240066033-A1 Compositions and Methods for the Treatment and Diagnosis of Cancer NSUN2, RNMT, TRDMT1 TSHR 3879/4885NPSR1 4720/4885SIGMAR1 3765/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL TSHR 898/4885NPSR1 591/4885SIGMAR1 289/4885

“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.