SCHEMBL16147455

SCHEMBL16147455

O=C(Nc1ccccc1Cl)c1cc(Cl)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 6/20 0.71
TMPRSS4 Q9NRS4 4/20 0.68
P2RX1 P51575 7/20 0.65
P2RX4 Q99571 3/20 0.65
P2RX7 Q99572 3/20 0.65
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
HPGD P15428 1/20 0.63
KDR P35968 2/20 0.61
MEN1 O00255 1/20 0.61
AURKA O14965 1/20 0.61
NPC1 O15118 1/20 0.61
PDPK1 O15530 1/20 0.61
JAK2 O60674 1/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
EGFR P00533 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
LYN P07948 1/20 0.61

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
SCHEMBL31093979 1.00 KCNMA1 (0.71) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL330387 0.87 KCNMA1 (0.81) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL15026045 0.87 KCNMA1 (0.76) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL30771727 0.87 KCNMA1 (0.76) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL30887952 0.85 KCNMA1 (0.59) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL2167354 0.85 KCNMA1 (0.59) KCNMA1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL16139019 0.85 RAB9A (0.65) KCNMA1TMPRSS4P2RX1CYP1A2CYP2C19
SCHEMBL9901505 0.84 CYP2C19 (0.72) CYP1A2CYP2C19HPGDMEN1NPC1
SCHEMBL2701801 0.83 HPGD (0.77) KCNMA1CYP1A2CYP2C19HPGDMEN1
SCHEMBL733479 0.83 ALDH1A1 (0.69) CYP1A2CYP2C19HPGDKDRMEN1

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
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US claimed
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY 2020-02-06 US claimed
EP-3313388-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE Duke University (US) 2018-05-02 EP claimed
WO-2016210289-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY (US) 2016-12-29 WO claimed
US-11952353-B2 STAT3 transcription factor inhibitors and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-04-09 US disclosed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
WO-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO disclosed
US-11331290-B2 Niclosamide for the treatment of cancer metastasis MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-05-17 US disclosed
US-20220125807-A1 PHARMACEUTICAL COMBINATION OF WNT SIGNALING AND MACC1 INHIBITORS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2022-04-28 US disclosed
US-20170056347-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2017-03-02 US disclosed
WO-2016210289-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY (US) 2016-12-29 WO disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed
CN-101537001-A Application of compound as JAK-STAT3 signal passage inhibitor GUANGZHOU INST BIOMED & HEALTH 2009-09-23 CN 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 (8 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-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 KCNMA1 3777/4885TMPRSS4 14/4885P2RX1 2669/4885
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE SFRP1, FZD7, WNT1 KCNMA1 4847/4885TMPRSS4 2074/4885P2RX1 3423/4885
US-11331290-B2 Niclosamide for the treatment of cancer metastasis S100A4, S100A11, S100A6 KCNMA1 2446/4885TMPRSS4 22/4885P2RX1 3207/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS KCNMA1 2695/4885TMPRSS4 2431/4885P2RX1 1629/4885
US-20170056347-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 KCNMA1 1417/4885TMPRSS4 2146/4885P2RX1 848/4885
US-20220125807-A1 PHARMACEUTICAL COMBINATION OF WNT SIGNALING AND MACC1 INHIBITORS S100A4, CTNNBL1, CTNNB1 KCNMA1 2253/4885TMPRSS4 60/4885P2RX1 3492/4885
US-11952353-B2 STAT3 transcription factor inhibitors and methods of using the same STAT3, STAT1, STAT5A KCNMA1 4668/4885TMPRSS4 849/4885P2RX1 3966/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 KCNMA1 1478/4885TMPRSS4 2067/4885P2RX1 910/4885

“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.