SCHEMBL2164367

SCHEMBL2164367

BrCCCCCOc1cccc2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.51
HTR1A P08908 4/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SLC6A4 P31645 3/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNA3 P22001 1/20 0.41
CYBB P04839 2/20 0.40
NOX5 Q96PH1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL9186984 0.98 NCF1 (0.49) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9184287 0.94 NCF1 (0.46) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL23412437 0.92 NCF1 (0.58) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL5211140 0.89 HTR1A (0.45) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL23412188 0.87 NCF1 (0.51) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL23412378 0.85 MAPT (0.52) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL2163572 0.84 KCNA3 (0.59) NCF1HTR1DHTR1BSLC6A4MAPT
SCHEMBL10950611 0.84 NCF1 (0.51) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL96224 0.84 NCF1 (0.51) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL10945765 0.84 NCF1 (0.51) NCF1HTR1AHTR1DHTR1BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
WO-2008124300-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 WO disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 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 (1 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-20080255189-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, ZC3HAV1, ZC3HAV1L NCF1 404/4885HTR1A 4301/4885HTR1D 4439/4885

“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.