SCHEMBL642660

SCHEMBL642660

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CCP(=O)(O)OC(C)CC)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
MCHR1 Q99705 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
RARB P10826 3/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PLK1 P53350 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL643050 0.90 NR1H4 (0.55) NR1H4RARBMAPTPLK1
SCHEMBL641557 0.86 LMNA (0.55) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL644605 0.85 LMNA (0.51) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL643797 0.84 PLK1 (0.53) NR1H4RARBPLK1PPARGPPARA
SCHEMBL642998 0.82 NR1H4 (0.56) NR1H4RARBMAPTPLK1PPARA
SCHEMBL642659 0.82 LMNA (0.52) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL641397 0.82 MCHR1 (0.48) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL641483 0.80 SMN1; SMN2 (0.57) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL642515 0.80 LMNA (0.46) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL641436 0.80 NR1H4 (0.58) SMN1; SMN2MCHR1NR1H4RARBMAPT

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-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 LMNA 1589/4885SMN1; SMN2 774/4885STAT3 4828/4885

“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.