SCHEMBL6243227

SCHEMBL6243227

CCOc1ccc2ccccc2c1-c1cnc(N)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
ALOX5 P09917 1/20 0.48
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
G6PD P11413 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4837084 0.86 MAPT (0.57) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL6241731 0.85 NPC1 (0.50) MAPTPTGS2ALDH1A1KMT2AMEN1
SCHEMBL6309991 0.82 SMN1; SMN2 (0.41) MAPTPTGS2ALDH1A1MAPK1HPGD
SCHEMBL6308442 0.80 CYP2A6 (0.42) DHFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4837463 0.79 DHFR (0.48) DHFRALOX5S1PR1S1PR3TLR8
SCHEMBL2045141 0.78 ALOX5 (0.65) DHFRALOX5S1PR1S1PR3MAPT
SCHEMBL30142113 0.78 ALOX5 (0.65) DHFRALOX5S1PR1S1PR3MAPT
SCHEMBL6243485 0.76 PTPN22 (0.41) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL15075980 0.72 MEN1 (0.73) DHFRALOX5S1PR1TLR8MAPT
SCHEMBL1807920 0.72 NCEH1 (0.53) DHFRALOX5TLR8MAPTALDH1A1

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-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
WO-2005016338-A1 USE OF 5-HT2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-24 WO 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B DHFR 265/4885ALOX5 416/4885S1PR1 77/4885

“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.