SCHEMBL5915134

SCHEMBL5915134

CCCCCCSc1nc(Cc2cccc(C)c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4198390 0.85 GPR84 (0.39) GPR84ALDH1A1HPGDHTR2CHTR2B
SCHEMBL5915155 0.80 RAB9A (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5915139 0.79 GPR84 (0.39) GPR84ALDH1A1HPGDSCN9ASCN5A
SCHEMBL5915225 0.78 GPR84 (0.40) GPR84ALDH1A1HPGDSCN9ASCN5A
SCHEMBL5915136 0.77 CYP1A2 (0.51) GPR84CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5915172 0.77 ALDH1A1 (0.38) GPR84ALDH1A1HPGDSCN9ASCN5A
SCHEMBL4202958 0.76 HTT (0.43) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL5915166 0.75 GPR84 (0.43) GPR84ALDH1A1HPGDSCN9ASCN5A
SCHEMBL4211718 0.74 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2CYP2C19HTR2C
SCHEMBL4194561 0.74 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP2C19HTR2C

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-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 GPR84 1358/4885ALDH1A1 1820/4885HPGD 1747/4885

“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.