SCHEMBL4396904

SCHEMBL4396904

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2ccc(Cl)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
TRPV1 Q8NER1 3/20 0.44
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4387635 0.92 SGMS1 (0.47) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL2172869 0.92 CYP1A2 (0.43) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL4392420 0.91 CYP1A2 (0.52) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL283213 0.90 TRPV1 (0.58) MAPTHTTTP53LMNAKMT2A
SCHEMBL4389894 0.88 TRPV1 (0.58) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL2173525 0.88 ALDH1A1 (0.52) KMT2ASGMS1ALDH1A1
SCHEMBL4397607 0.86 CYP1A2 (0.46) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL2173603 0.85 SGMS1 (0.49) TP53LMNASGMS1TRPV1THRB
SCHEMBL4397597 0.85 TRPV1 (0.45) LMNAKMT2AMEN1SGMS1TRPV1
SCHEMBL12407097 0.85 TRPV1 (0.45) MAPTHTTCYP1A2CYP3A4CYP2C9

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 MAPT 4524/4885HTT 4406/4885CYP1A2 3488/4885

“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.