SCHEMBL3224486

SCHEMBL3224486

O=C(OCc1ccccc1)N1CCCC1c1nc2cc(Br)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.46
PREP P48147 3/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
TGM2 P21980 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3224476 1.00 AADAT (0.46) AADATPREPTMEM97SIGMAR1TGM2
SCHEMBL10117812 0.93 AADAT (0.46) AADATPREPTMEM97SIGMAR1TGM2
SCHEMBL38658062 0.83 SCD5 (0.43)
SCHEMBL19385191 0.83 SCD5 (0.43)
SCHEMBL19385192 0.83 SCD5 (0.43)
SCHEMBL19400882 0.81 KMT2A (0.51) ALDH1A1TSHRNPSR1
SCHEMBL29562728 0.81 KMT2A (0.51) ALDH1A1TSHRNPSR1
SCHEMBL19400899 0.81 KMT2A (0.51) ALDH1A1TSHRNPSR1
SCHEMBL38656664 0.81 KMT2A (0.51) ALDH1A1TSHRNPSR1
SCHEMBL3213021 0.79 HCRTR1 (0.50) AADATPREPTMEM97SIGMAR1

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-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885PREP 113/4885TMEM97 4201/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885PREP 113/4885TMEM97 4201/4885

“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.