SCHEMBL2912114

SCHEMBL2912114

c1ccc(C(c2ccccn2)c2cccc(C(c3ccccn3)c3ccccn3)n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 8/20 0.44
TDP1 Q9NUW8 5/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 2/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
TP53 P04637 1/20 0.44
ALPL P05186 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 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
SCHEMBL2457219 0.90 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL18158031 0.86 KDM4E (0.63) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL30166037 0.76 SLC6A2 (0.91) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL10154156 0.76 SLC6A2 (0.91) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL3290275 0.76 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4MEN1MAPT
Bromide SCHEMBL30297437 0.74 SLC6A3 (0.95) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL3827027 0.74 SLC6A2 (0.58) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL13656114 0.73 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL9185638 0.72 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3096488 0.72 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4MEN1MAPT

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
EP-2221289-B1 METHOD OF PRODUCING ALCOHOL MITSUBISHI CHEM CORP (JP) 2016-10-26 EP disclosed
US-8318990-B2 Process of producing alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2012-11-27 US disclosed
US-20100298613-A1 PROCESS OF PRODUCING ALCOHOL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-11-25 US disclosed
EP-2221289-A1 METHOD OF PRODUCING ALCOHOL Mitsubishi Chemical Corporation (JP) 2010-08-25 EP 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-20100298613-A1 PROCESS OF PRODUCING ALCOHOL ADH1C, ADH1A, ADH5 SLC6A3 2289/4885SLC6A2 2000/4885SLC6A4 1880/4885

“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.