SCHEMBL4493658

SCHEMBL4493658

CN1CCN(CC(=O)Nc2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
FLT3 P36888 1/20 0.47
ABCB1 P08183 2/20 0.45
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 1/20 0.45
REV1 Q9UBZ9 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KDR P35968 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 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
SCHEMBL4493659 1.00 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAFLT3ABCB1
SCHEMBL30979375 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAGAAABCB1ALDH1A1
SCHEMBL4481917 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAGAAABCB1ALDH1A1
SCHEMBL4481915 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAGAAABCB1ALDH1A1
SCHEMBL4494567 0.89 NTRK1 (0.44) SMN1; SMN2LMNAFLT3ALDH1A1RAB9A
SCHEMBL4494576 0.89 NTRK1 (0.44) SMN1; SMN2LMNAFLT3ALDH1A1RAB9A
SCHEMBL4501637 0.88 MELK (0.48) FLT3ALDH1A1KDR
SCHEMBL4501633 0.88 MELK (0.48) FLT3ALDH1A1KDR
SCHEMBL30979368 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAGAAABCB1ALDH1A1
SCHEMBL2572203 0.88 TSHR (0.52) SMN1; SMN2LMNAGAAALDH1A1RAB9A

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 SMN1; SMN2 4006/4885LMNA 1884/4885GAA 4394/4885

“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.