SCHEMBL2991896

SCHEMBL2991896

COc1ccnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
DOT1L Q8TEK3 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
ALOX5 P09917 5/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 2/20 0.39
PSMD14 O00487 1/20 0.39
LMNA P02545 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HPGD P15428 1/20 0.39
CLK1 P49759 2/20 0.38

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
SCHEMBL2991901 1.00 MEN1 (0.47) MEN1KMT2ADOT1LCISD1ALOX5
SCHEMBL2993535 0.89 CLK1 (0.41) MEN1KMT2ACISD1ALOX5ALDH1A1
SCHEMBL2993530 0.89 CLK1 (0.41) MEN1KMT2ACISD1ALOX5ALDH1A1
SCHEMBL2993707 0.88 CISD1 (0.40) MEN1KMT2ACISD1ALOX5MAPT
SCHEMBL2993709 0.88 CISD1 (0.40) MEN1KMT2ACISD1ALOX5MAPT
SCHEMBL4587419 0.86 CISD1 (0.39) MEN1KMT2ACISD1ALOX5POLB
SCHEMBL2981460 0.86 CISD1 (0.39) MEN1KMT2ACISD1ALOX5POLB
SCHEMBL2981459 0.86 CISD1 (0.39) MEN1KMT2ACISD1ALOX5POLB
SCHEMBL2996253 0.86 CISD1 (0.41) MEN1KMT2ACISD1ALOX5ALDH1A1
SCHEMBL2996250 0.86 CISD1 (0.41) MEN1KMT2ACISD1ALOX5ALDH1A1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885DOT1L 2566/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MEN1 37/4885KMT2A 2272/4885DOT1L 1740/4885

“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.