SCHEMBL6947536

SCHEMBL6947536

COc1cccc(Oc2ccc(Br)cc2CN(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.59
SLC6A2 P23975 6/20 0.59
SLC6A3 Q01959 5/20 0.59
HTR2A P28223 4/20 0.49
KCNH2 Q12809 3/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CCR5 P51681 1/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6946976 0.87 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6947521 0.82 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL3696560 0.80 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KDM4EPOLB
SCHEMBL29888844 0.80 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KDM4EPOLB
SCHEMBL2562283 0.80 HSD17B10 (0.57) KDM4EPOLBMAOBALDH1A1
SCHEMBL2562353 0.79 KDM4E (0.52) SLC6A4SLC6A2SLC6A3KDM4EPOLB
SCHEMBL6946108 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6947187 0.74 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14097989 0.73 PTGDR2 (0.49) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14097988 0.73 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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 4 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-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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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 (3 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 34/4885SLC6A2 71/4885SLC6A3 226/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885SLC6A2 3501/4885SLC6A3 4289/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885SLC6A2 4758/4885SLC6A3 4742/4885

“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.