SCHEMBL6152176

SCHEMBL6152176

CNCc1ccccc1Oc1ccc(SC)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.68
HTR2A P28223 8/20 0.68
HRH3 Q9Y5N1 4/20 0.66
KCNH2 Q12809 4/20 0.64
MAOA P21397 1/20 0.58
SLC6A2 P23975 5/20 0.58
SLC6A3 Q01959 5/20 0.58
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3134684 0.83 SLC6A4 (0.75) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19361290 0.82 SLC6A4 (0.73) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL20852556 0.82 SLC6A4 (0.73) SLC6A4HTR2AKCNH2MAOASLC6A2
SCHEMBL6947509 0.81 SLC6A4 (0.71) SLC6A4HTR2AHRH3KCNH2SLC6A2
SCHEMBL19361237 0.81 SLC6A4 (0.71) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5878691 0.80 SLC6A4 (0.56) SLC6A4HTR2AHRH3KCNH2MAOA
SCHEMBL6951883 0.80 SLC6A4 (0.71) SLC6A4HTR2AHRH3KCNH2SLC6A2
SCHEMBL6151957 0.80 SLC6A4 (0.71) SLC6A4HTR2AHRH3KCNH2SLC6A2
SCHEMBL6151954 0.80 SLC6A4 (1.00) SLC6A4HTR2AHRH3KCNH2SLC6A2
SCHEMBL5878563 0.80 SLC6A4 (0.67) SLC6A4HTR2AHRH3KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US 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 (4 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SLC6A4 34/4885HTR2A 10/4885HRH3 495/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885HTR2A 4618/4885HRH3 2212/4885
US-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 SLC6A4 2002/4885HTR2A 1502/4885HRH3 275/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885HTR2A 3555/4885HRH3 3411/4885

“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.