SCHEMBL4504444

SCHEMBL4504444

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.40
RXFP1 Q9HBX9 3/20 0.39
SLC2A1 P11166 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
PPARG P37231 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
CES1 P23141 1/20 0.37
NTRK1 P04629 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PLK1 P53350 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.36
GRIK1 P39086 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 2/20 0.36

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
SCHEMBL4487044 0.91 CES1 (0.39) RXFP1CES1NPC1RAB9APOLB
SCHEMBL4497342 0.89 NR1H4 (0.40) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL4494454 0.88 NR1H4 (0.41) P2RX1RXFP1SLC2A1P2RX4P2RX7
SCHEMBL4505422 0.88 KDR (0.42) RXFP1NTRK1NPC1RAB9APOLB
SCHEMBL3141980 0.88 KCNK9 (0.40) RXFP1PPARGNR1H4NPC1RAB9A
SCHEMBL5785822 0.88 CHEK1 (0.45) RXFP1NTRK1POLBCTDSP1KDR
SCHEMBL227667 0.87 HSPH1 (0.45) P2RX1RXFP1SLC2A1P2RX4P2RX7
SCHEMBL7464386 0.86 MEN1 (0.41) RXFP1PPARGNR1H4NPC1RAB9A
SCHEMBL5787515 0.86 MEN1 (0.41) RXFP1PPARGNR1H4NPC1RAB9A
SCHEMBL4496719 0.86 CES1 (0.47) RXFP1TMPRSS4CES1NPC1RAB9A

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR P2RX1 775/4885RXFP1 425/4885SLC2A1 1505/4885

“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.