SCHEMBL1802193

SCHEMBL1802193

CCSc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
LMNA P02545 2/20 0.44
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAP2K7 O14733 1/20 0.35

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
SCHEMBL17195662 0.82 HTR7 (0.63) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL9793625 0.82 S100A4 (0.41) LMNAALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL13508978 0.80 HTR7 (0.67) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL6039974 0.79 HTR7 (0.59) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL21282025 0.79 HTR7 (0.38) HTR7MAOAMAOBLMNANOS3
SCHEMBL20399484 0.79 HTR7 (0.38) HTR7MAOAMAOBLMNANOS3
SCHEMBL1648559 0.77 HTR7 (0.44) HTR7MAOAMAOBLMNANOS3
SCHEMBL30418245 0.77 HTR7 (0.58) HTR7MAOAMAOB
SCHEMBL31378718 0.76 HTR7 (0.52) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL9296265 0.76 HTR7 (0.52) HTR7MAOAMAOBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 CN disclosed
US-20240018137-A1 COMPOUND, METHOD FOR PRODUCING SAME, POLYMERIZABLE COMPOSITION, POLYMER, HOLOGRAPHIC RECORDING MEDIUM, OPTICAL MATERIAL, AND OPTICAL COMPONENT MITSUBISHI CHEMICAL CORPORATION (JP) 2024-01-18 US disclosed
US-20220241281-A1 Imidazopyrimidine Derivatives GILEAD SCIENCES, INC. 2022-08-04 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3860717-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2021-08-11 EP disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
WO-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-04-09 US disclosed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 WO disclosed
EP-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 WO disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed
US-6100293-A ANTIINFLAMMATORY AGENT EFFECTIVE IN THE PROPHYLAXIS OF ORGAN TRANSPLANT REJECTION; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-08-08 US disclosed
US-6083980-A 3B,7,9A-TRIMETHYL-1,3,3A,3B,4,5,5A,6,9,9A,9B,10,11,11A-TETRADE CAHYDRO PHENANTHRO(1,2-C)FURAN DERIVATIVE USED AS IMMUNOSUPPRESSANT TO PREVENT GRAFTING REJECTION MERCK & CO., INC. (US) 2000-07-04 US disclosed
WO-1999020267-A1 FURANYL, TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020274-A1 TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR7 4857/4885MAOA 2012/4885MAOB 1994/4885
US-20220241281-A1 Imidazopyrimidine Derivatives DPYD, KRAS, ABL1 HTR7 4250/4885MAOA 3697/4885MAOB 2864/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR7 4857/4885MAOA 2012/4885MAOB 1994/4885
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES DPYD, KRAS, ABL1 HTR7 4250/4885MAOA 3697/4885MAOB 2864/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 HTR7 4250/4885MAOA 3697/4885MAOB 2864/4885
US-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 HTR7 1101/4885MAOA 156/4885MAOB 76/4885
US-20240018137-A1 COMPOUND, METHOD FOR PRODUCING SAME, POLYMERIZABLE COMPOSITION, POLYMER, HOLOGRAPHIC RECORDING MEDIUM, OPTICAL MATERIAL, AND OPTICAL COMPONENT F12, SEM1, NOX1 HTR7 3477/4885MAOA 1344/4885MAOB 1360/4885

“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.