SCHEMBL6408438

SCHEMBL6408438

Fc1ccccc1Oc1ncccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
FEN1 P39748 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
MAPK8 P45983 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42

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
SCHEMBL4477069 0.82 MEN1 (0.46) FEN1ALDH1A1
SCHEMBL15074670 0.78 HTR1A (0.54) HTR1ASLC6A2SLC6A4MAPK1NPC1
SCHEMBL27648901 0.78 MEN1 (0.58) FEN1ALDH1A1
SCHEMBL1340917 0.77 HTR1A (0.52) HTR1ASLC6A2SLC6A4MAPK1NPC1
SCHEMBL6408447 0.77 KDM4E (0.50) HTR1ASLC6A2SLC6A4MAPK1NPC1
SCHEMBL2891311 0.76 MEN1 (0.57) HTR1ASLC6A2SLC6A4MAPK1NPC1
SCHEMBL13422264 0.75 DHODH (0.53) NPC1MAPTRAB9AFEN1ALDH1A1
SCHEMBL11924511 0.74 MAPK8 (0.54) HTR1ASLC6A2SLC6A4MAPK1NPC1
SCHEMBL10256222 0.74 P2RY1 (0.50) HTR1ASLC6A2SLC6A4NPC1MAPT
SCHEMBL30022581 0.74 PTGS1 (0.49) MAPK1NPC1RAB9AFEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US disclosed
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 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-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, CACNA1C, KYNU HTR1A 409/4885SLC6A2 510/4885SLC6A4 643/4885

“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.