SCHEMBL4497825

SCHEMBL4497825

Cc1ccc(N)cc1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
ACHE P22303 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CA12 O43570 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM2 P08172 1/20 0.46
IDO1 P14902 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7625869 0.87 HTT (0.63) HTTMEN1KMT2ATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL27637036 0.85 MAOB (0.64) MEN1KMT2ATDP1MAOAMAOB
SCHEMBL17447224 0.82 HTT (0.57) HTTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL11136760 0.81 MAOB (0.74) HTTACHETDP1SMN1; SMN2MAOA
SCHEMBL9973111 0.79 MEN1 (0.74) HTTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL5604663 0.79 MEN1 (0.54) HTTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL842161 0.78 CHRM2 (0.67) HTTACHEMEN1KMT2ATDP1
Aniline SCHEMBL10391735 0.78 ACHE (0.77) HTTACHEMEN1KMT2ATDP1
SCHEMBL2125786 0.78 TDP1 (0.55) HTTMEN1KMT2ATDP1MAOA
SCHEMBL5799878 0.78 MEN1 (0.78) MEN1KMT2ATDP1THRBMAOA

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 3 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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 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 HTT 3112/4885ACHE 2967/4885MEN1 1288/4885

“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.