SCHEMBL4254479

SCHEMBL4254479

CN1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
HTR1A P08908 7/20 0.58
HTR7 P34969 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.50
USP30 Q70CQ3 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
APP P05067 1/20 0.46

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
SCHEMBL14094445 0.86 SMN1; SMN2 (0.56) MAPK1HTTHTR1AHTR7SMN1; SMN2
SCHEMBL13200796 0.86 ALDH1A1 (0.69) HTTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL1659340 0.85 MAPK1 (0.83) MAPK1HTTHTR1AHTR7SMN1; SMN2
SCHEMBL5245677 0.84 MCOLN2 (0.61) HTTHTR1AHTR7SMN1; SMN2KDM4E
SCHEMBL23052382 0.83 HTT (0.65) MAPK1HTTHTR1AHTR7SMN1; SMN2
SCHEMBL2547923 0.82 SMN1; SMN2 (0.51) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL14923992 0.82 USP30 (0.64) HTTHTR1AHTR7SMN1; SMN2KDM4E
SCHEMBL3013547 0.82 MAPK1 (0.90) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL1134916 0.81 KDM4E (0.50) HTTHTR1AHTR7SMN1; SMN2KDM4E
SCHEMBL16222301 0.81 KMT2A (0.56) SMN1; SMN2KDM4ERECQLALDH1A1USP30

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786156-A1 10H-PHENOTHIAZINE FERROPTOSIS INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Chengdu Henghao Investment Co. Limited (CN) 2021-03-03 EP disclosed
US-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof Chengdu Henghao Investment Co. Limited (CN) 2021-02-11 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
EP-1945628-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof AIFM2, FECH, GPX4 MAPK1 3023/4885HTT 1784/4885HTR1A 1473/4885
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease DPYD, TYMS, TYMP MAPK1 2594/4885HTT 440/4885HTR1A 1660/4885

“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.