SCHEMBL4383973

SCHEMBL4383973

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CASR P41180 1/20 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
SCHEMBL4562630 0.92 SMN1; SMN2 (0.42) HPGDKMT2ASMN1; SMN2SLC40A1ALDH1A1
SCHEMBL5667982 0.88 KDM4E (0.47) HPGDKMT2ASMN1; SMN2MEN1SLC40A1
SCHEMBL4383724 0.87 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4395355 0.87 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4392406 0.87 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2172634 0.84 TRPV1 (0.56) KMT2AMEN1SLC40A1KDM4EMAPT
SCHEMBL5669715 0.84 HDAC3 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL5669968 0.84 CYP1A2 (0.41) KMT2ASMN1; SMN2MEN1SLC40A1ALDH1A1
SCHEMBL5667971 0.83 HDAC3 (0.41) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2173905 0.83 SHMT2 (0.43) HPGDKMT2ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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 EPHX2 1740/4885LMNA 1626/4885HPGD 3481/4885

“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.