SCHEMBL5066404

SCHEMBL5066404

CCNCCCCNCC1CC1CNCCCCNCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 2/20 0.54
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.46
KDM1A O60341 5/20 0.43
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL14001877 1.00 SAT1 (0.54) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL15884023 1.00 SAT1 (0.54) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL12951342 1.00 SAT1 (0.54) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL12085585 1.00 SAT1 (0.54) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL14001872 0.98 SAT1 (0.57) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL14001876 0.98 SAT1 (0.57) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL15884118 0.95 SAT1 (0.59) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL18721523 0.95 SAT1 (0.59) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL10004983 0.95 SAT1 (0.59) SAT1CYP2C19CYP1A2MEN1GLA
SCHEMBL12085581 0.95 SAT1 (0.59) SAT1CYP2C19CYP1A2MEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
EP-3228310-B1 METHYLGLYOXAL BIS(GUANYL-HYDRAZONE) FOR REGULATING OSTEOPONTIN IN A SUBJECT PATHOLOGICA LLC (US) 2021-05-05 EP disclosed
US-20190224144-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING PATHOLOGICA LLC 2019-07-25 US disclosed
US-20190224144-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING PATHOLOGICA LLC 2019-07-25 US disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
US-10292950-B2 Method of treatment with anti-inflammatory and analgesic compounds which are GI-, renal-, and platelet-sparing PATHOLOGICA LLC (US) 2019-05-21 US disclosed
US-10292950-B2 Method of treatment with anti-inflammatory and analgesic compounds which are GI-, renal-, and platelet-sparing PATHOLOGICA LLC (US) 2019-05-21 US disclosed
US-20180369170-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING PATHOLOGICA LLC 2018-12-27 US disclosed
US-9867794-B2 Regulation of osteopontin PATHOLOGICA LLC (US) 2018-01-16 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
WO-2007111993-A2 POLYAMINE ANALOGS AS THERAPEUTIC AGENTS FOR SKIN DISEASES CELLGATE, INC. (US) 2007-10-04 WO disclosed
US-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds CELLGATE, INC. 2007-10-04 US disclosed
US-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds CELLGATE, INC. 2007-10-04 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
WO-2007040535-A1 USE OF POLYAMINE ANALOGS FOR TREATMENT AND PREVENTION OF INTESTINAL POLYPS CELLGATE, INC. (US) 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 (6 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-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds SRM, SMS, PCNA SAT1 38/4885CYP2C19 4775/4885CYP1A2 4812/4885
US-20180369170-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING OPRK1, PTGES3, PTGES SAT1 4651/4885CYP2C19 281/4885CYP1A2 505/4885
US-20190224144-A1 METHOD OF TREATMENT WITH ANTI-INFLAMMATORY AND ANALGESIC COMPOUNDS WHICH ARE GI-, RENAL-, AND PLATELET-SPARING OPRK1, PTGES3, PTGES SAT1 4651/4885CYP2C19 281/4885CYP1A2 505/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG SAT1 1880/4885CYP2C19 4252/4885CYP1A2 3593/4885
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR SAT1 47/4885CYP2C19 3900/4885CYP1A2 3677/4885
US-10292950-B2 Method of treatment with anti-inflammatory and analgesic compounds which are GI-, renal-, and platelet-sparing OPRK1, PTGES3, PTGES SAT1 4651/4885CYP2C19 281/4885CYP1A2 505/4885

“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.