SCHEMBL4500356

SCHEMBL4500356

CN1CCN(CCC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
TERT O14746 3/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
PLK1 P53350 1/20 0.37
PAK1 Q13153 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 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
SCHEMBL4500359 1.00 TP53 (0.42) TP53SMN1; SMN2HRH4AAK1TERT
SCHEMBL4496353 0.93 SLC2A1 (0.36) TP53HRH4AAK1LMNAL3MBTL1
SCHEMBL4496348 0.93 SLC2A1 (0.36) TP53HRH4AAK1LMNAL3MBTL1
SCHEMBL4485411 0.93 AAK1 (0.46) SMN1; SMN2AAK1PIM1PIM2DRD4
SCHEMBL4485414 0.93 AAK1 (0.46) SMN1; SMN2AAK1PIM1PIM2DRD4
SCHEMBL4502848 0.91 MELK (0.41) AAK1TERTLMNAPAK1
SCHEMBL4502845 0.91 MELK (0.41) AAK1TERTLMNAPAK1
SCHEMBL4492354 0.90 AAK1 (0.44) SMN1; SMN2AAK1PIM1PIM2DRD4
SCHEMBL4492351 0.90 AAK1 (0.44) SMN1; SMN2AAK1PIM1PIM2DRD4
SCHEMBL4491928 0.90 MEN1 (0.39) TP53SMN1; SMN2LMNAMEN1KMT2A

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 TP53 681/4885SMN1; SMN2 4006/4885HRH4 990/4885

“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.