SCHEMBL4035769

SCHEMBL4035769

Cc1ccccc1Cc1n[nH]c(SCc2ccc(Cl)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 3/20 0.36
HPGD P15428 5/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 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
SCHEMBL5915133 0.88 SMN1; SMN2 (0.40) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL5915130 0.86 SMN1; SMN2 (0.41) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL5915213 0.81 METAP2 (0.42) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL5915162 0.80 ALDH1A1 (0.37) SMN1; SMN2HPGDGAAALDH1A1KMT2A
SCHEMBL4202526 0.80 KDM4E (0.40) SMN1; SMN2METAP2HPGDALDH1A1KMT2A
SCHEMBL4211312 0.79 RAB9A (0.47) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL5915237 0.79 DAO (0.39) SMN1; SMN2GAAMAPTLMNACYP2C19
SCHEMBL5915143 0.77 SMN1; SMN2 (0.40) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL4028112 0.77 KMT2A (0.41) SMN1; SMN2METAP2HPGDGAAALDH1A1
SCHEMBL4031165 0.76 TDP1 (0.35) ALDH1A1KMT2ACYP3A4MAPK1

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 5 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
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 SMN1; SMN2 4622/4885METAP2 1/4885HPGD 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.