SCHEMBL9607536

SCHEMBL9607536

CC(C)(C)c1snnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
LMNA P02545 5/20 0.49
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TDO2 P48775 1/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL14848623 0.81 MKNK1 (0.44) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL11133165 0.81 MKNK1 (0.46) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL2357769 0.74 L3MBTL1 (0.53) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL12561780 0.73 L3MBTL1 (0.45) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL170710 0.71 TDO2 (0.61) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL23618656 0.71 AKT1 (0.40) TDP1KDM4EALDH1A1MAPTKMT2A
SCHEMBL12788076 0.69 LMNA (0.50) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL9168467 0.69 LMNA (0.50) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL3038829 0.69 KDM4E (0.50) L3MBTL1LMNANPSR1TDP1KDM4E
SCHEMBL19026193 0.69 NPSR1 (0.50) L3MBTL1LMNANPSR1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R L3MBTL1 3656/4885LMNA 3418/4885NPSR1 54/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH L3MBTL1 3044/4885LMNA 924/4885NPSR1 13/4885

“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.