SCHEMBL4392401

SCHEMBL4392401

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
TAOK1 Q7L7X3 2/20 0.50
TAOK3 Q9H2K8 1/20 0.50
TRPV1 Q8NER1 1/20 0.46
CSNK1D P48730 1/20 0.43
ADRB2 P07550 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 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
SCHEMBL4388997 0.85 CACNA1G (0.46) CACNA1GCACNA1HCACNA1ITRPV1KMT2A
SCHEMBL2171605 0.81 TRPV1 (0.58) CACNA1GCACNA1HCACNA1ITRPV1CSNK1D
SCHEMBL2172285 0.81 CACNA1G (0.45) CACNA1GCACNA1HCACNA1ITAOK1TAOK3
SCHEMBL5668410 0.80 LTA4H (0.48) CACNA1GCACNA1HCACNA1ITRPV1MEN1
SCHEMBL5667686 0.80 CACNA1G (0.46) CACNA1GCACNA1HCACNA1ITRPV1ADRB2
SCHEMBL2171264 0.78 NPC1 (0.55) CACNA1GCACNA1HCACNA1ICSNK1DMEN1
SCHEMBL5670058 0.78 TRPV1 (0.45) CACNA1GCACNA1HCACNA1ITRPV1MEN1
SCHEMBL5668902 0.78 CACNA1G (0.44) CACNA1GCACNA1HCACNA1ITAOK1TAOK3
SCHEMBL12407140 0.77 CACNA1G (0.53) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL2171492 0.77 TRPV1 (0.56) CACNA1GCACNA1HCACNA1ITRPV1MEN1

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 CACNA1G 4004/4885CACNA1H 4347/4885CACNA1I 4036/4885

“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.