SCHEMBL2173689

SCHEMBL2173689

CC(C)c1ccc(NC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.53
EPHX1 P07099 1/20 0.51
IGF1R P08069 1/20 0.49
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HIF1A Q16665 2/20 0.43
GAA P10253 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL2172958 0.90 CNR1 (0.54) CNR1IGF1RPOLBSLC2A1RAB9A
SCHEMBL2171624 0.87 CNR1 (0.51) CNR1IGF1RPOLBRAB9ASMN1; SMN2
SCHEMBL2172966 0.87 SMN1; SMN2 (0.51) IGF1RSLC2A1RAB9ASMN1; SMN2KMT2A
SCHEMBL2174484 0.84 IGF1R (0.49) IGF1RSLC2A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5670028 0.82 IGF1R (0.56) IGF1RRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4395207 0.81 CNR1 (0.51) CNR1EPHX1IGF1RRAB9AKMT2A
SCHEMBL2171406 0.79 SMN1; SMN2 (0.57) CNR1IGF1RRAB9ASMN1; SMN2KMT2A
SCHEMBL2174354 0.78 HDAC3 (0.52) IGF1RRAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2173104 0.78 SMN1; SMN2 (0.56) CNR1IGF1RRAB9ASMN1; SMN2KMT2A
SCHEMBL4393911 0.78 NPC1 (0.54) EPHX1POLBRAB9ASMN1; SMN2KMT2A

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 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 CNR1 1153/4885EPHX1 1420/4885IGF1R 367/4885

“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.