SCHEMBL4199893

SCHEMBL4199893

COc1ccccc1Cc1n[nH]c(SCc2ccoc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CTSB P07858 1/20 0.41
AR P10275 1/20 0.40
METAP2 P50579 3/20 0.39
TSHR P16473 5/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP2C9 P11712 2/20 0.37
MAPT P10636 2/20 0.37
KDM1A O60341 1/20 0.36
GAA P10253 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL4205435 0.83 CTSB (0.46) SMN1; SMN2CTSBARMETAP2MEN1
SCHEMBL4198086 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CTSBARMETAP2TSHR
SCHEMBL5915159 0.80 TDP1 (0.42) SMN1; SMN2CTSBARMETAP2TSHR
SCHEMBL5915170 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CTSBARMETAP2TSHR
SCHEMBL5915205 0.78 NPC1 (0.54) SMN1; SMN2CTSBARMETAP2CYP1A2
SCHEMBL5915130 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CTSBARMETAP2TSHR
SCHEMBL5374355 0.77 METAP2 (0.47) SMN1; SMN2METAP2TSHRHSD17B10USP2
SCHEMBL5915183 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CTSBARMETAP2TSHR
SCHEMBL5915165 0.74 ALDH1A1 (0.36) METAP2TSHRCYP3A4TDP1MAPT
SCHEMBL4192105 0.74 CYP1A2 (0.41) SMN1; SMN2ARMETAP2HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
JP-2005506299-A 2005-03-03 JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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 SMN1; SMN2 4622/4885CTSB 91/4885AR 2668/4885

“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.