SCHEMBL4071380

SCHEMBL4071380

C1=CN(c2ccccc2)c2ccccc2C1.[Sn]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.32
CES1 P23141 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL1408254 0.96 HPGD (0.38) HPGDADRA2AADRA2BADRA2CCES2
SCHEMBL4148701 0.96 HPGD (0.38) HPGDADRA2AADRA2BADRA2CCES2
SCHEMBL5801014 0.83 HTR1A (0.41) HPGDALDH1A1SMN1; SMN2
SCHEMBL5572755 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6578601 0.78 HSD17B3 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2HTR2A
SCHEMBL6576570 0.74 SLC6A4 (0.36) SLC6A4
SCHEMBL10785337 0.72 POLB (0.33) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL181031 0.72 GRIN1 (0.41) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL15840870 0.71 GAA (0.41) HPGDADRA2AADRA2BADRA2CCES2
SCHEMBL374979 0.71 ALDH1A1 (0.33) HPGDALDH1A1POLBNPC1RAB9A

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-20090306163-A1 TOPICAL COMPOSITIONS COMPRISING IMIDAZOLIDINEDIONE ANALOGS AND THEIR USE TO TREAT OR PREVENT THE APPEARANCE OF SKIN WRINKLING LIPKIN PAMELA RENEE 2009-12-10 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-20090306163-A1 TOPICAL COMPOSITIONS COMPRISING IMIDAZOLIDINEDIONE ANALOGS AND THEIR USE TO TREAT OR PREVENT THE APPEARANCE OF SKIN WRINKLING CUTA, COL14A1, PDE7B HPGD 303/4885ADRA2A 694/4885ADRA2B 510/4885

“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.