SCHEMBL5857791

SCHEMBL5857791

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3cccnc3c2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 5/20 0.38
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PLK1 P53350 5/20 0.34
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CSF1R P07333 1/20 0.32
F11 P03951 1/20 0.32
NR4A2 P43354 1/20 0.31
PDGFRB P09619 2/20 0.31
KDR P35968 2/20 0.31
PLK3 Q9H4B4 2/20 0.31
KIT P10721 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL3933644 1.00 GPR55 (0.38) GPR55LMNAMEN1KMT2AALDH1A1
SCHEMBL3943820 0.95 NPC1 (0.37) GPR55LMNAMEN1KMT2AALDH1A1
SCHEMBL5858152 0.95 NPC1 (0.37) GPR55LMNAMEN1KMT2AALDH1A1
SCHEMBL3931789 0.88 GPR55 (0.35) GPR55MEN1KMT2AALDH1A1MAPT
SCHEMBL5858305 0.88 GPR55 (0.35) GPR55MEN1KMT2AALDH1A1MAPT
SCHEMBL3935943 0.87 MEN1 (0.35) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3938321 0.87 SLC6A7 (0.37) GPR55MEN1KMT2APLK1NPC1
SCHEMBL5857611 0.87 SLC6A7 (0.37) GPR55MEN1KMT2APLK1NPC1
SCHEMBL5857088 0.86 PLK1 (0.35) GPR55MEN1KMT2APLK1NPC1
SCHEMBL3933136 0.86 PLK1 (0.35) GPR55MEN1KMT2APLK1NPC1

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-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 GPR55 970/4885LMNA 1567/4885MEN1 1664/4885

“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.