SCHEMBL6428837

SCHEMBL6428837

CCC(C1CCCN1)N(c1ccc(OC)c(F)c1)c1nc(N)nc(NCc2cccs2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 6/20 0.33
HTR2C P28335 3/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL6427798 0.91 MEN1 (0.34) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5412214 0.88 TACR1 (0.35) MAPTMAPK1CYP2D6TACR1DHFR
SCHEMBL6428528 0.87 GALR1 (0.35) MAPK1DHFR
SCHEMBL6819318 0.86 MAPK1 (0.33) ALDH1A1MAPTSMN1; SMN2MAPK1TACR1
SCHEMBL5554034 0.86 GALR1 (0.38) SMN1; SMN2MAPK1HTR2CHTR2AMEN1
SCHEMBL6607370 0.85 GALR1 (0.39) SMN1; SMN2MAPK1HTR2CHTR2AMEN1
SCHEMBL5553512 0.85 MAPK1 (0.39) MAPK1
SCHEMBL5553495 0.85 MAPK1 (0.34) MAPK1
SCHEMBL5555729 0.84 MAPK1 (0.35) MAPK1DHFR
SCHEMBL6428054 0.84 MAPK1 (0.32) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed

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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ALDH1A1 4548/4885LMNA 3439/4885MAPT 3475/4885

“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.