SCHEMBL12482017

SCHEMBL12482017

CCOc1cc(CCNC(=O)c2csc(CNC(=O)COc3ccc(O)cc3)n2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 8/20 0.49
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL4383985 0.91 LMNA (0.47) LMNASMN1; SMN2PKMMAPTKMT2A
SCHEMBL5670152 0.78 CYP1A2 (0.50) LMNASMN1; SMN2PKMMAPTKMT2A
SCHEMBL5668546 0.78 IGF1R (0.49) SMN1; SMN2MAPTKMT2APOLBTP53
SCHEMBL4392420 0.77 CYP1A2 (0.52) LMNASMN1; SMN2MAPTKMT2APOLB
SCHEMBL12481961 0.77 HTT (0.46) SMN1; SMN2MAPTKMT2APOLBTP53
SCHEMBL4387708 0.77 TRPV1 (0.44) LMNASMN1; SMN2MAPTPOLBTP53
SCHEMBL2172869 0.76 CYP1A2 (0.43) SMN1; SMN2MAPTKMT2APOLBALDH1A1
SCHEMBL11910564 0.76 CYP1A2 (0.68) LMNASMN1; SMN2PKMMAPTKMT2A
SCHEMBL4397607 0.76 CYP1A2 (0.46) LMNASMN1; SMN2MAPTKMT2APOLB
SCHEMBL10126403 0.75 IGF1R (0.52) LMNASMN1; SMN2PKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 LMNA 1626/4885SMN1; SMN2 4564/4885PKM 360/4885

“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.