SCHEMBL4495005

SCHEMBL4495005

OCCN(CCO)CNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 2/20 0.38
MCL1 Q07820 1/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH3 Q9ULD8 2/20 0.35
CA12 O43570 1/20 0.34

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
Trolamine SCHEMBL9460138 0.88 ALDH1A1 (0.41) MAPTALDH1A1KDM4ERECQLMCL1
Diphenylamine SCHEMBL3410612 0.78 HSD17B10 (0.55) MAPTALDH1A1KDM4ERECQLMCL1
Trolamine SCHEMBL19303842 0.77 ABAT (0.42) MAPTALDH1A1KDM4ERECQLHTT
SCHEMBL11318910 0.74 HTT (0.53) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL3572170 0.74 ALDH1A1 (0.44) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8695957 0.71 ALDH1A1 (0.47) MAPTALDH1A1KDM4ERECQLMCL1
SCHEMBL8115 0.70 ALDH1A1 (0.64) MAPTALDH1A1KDM4ERECQLMCL1
SCHEMBL3565505 0.70 ALDH1A1 (0.50) MAPTALDH1A1HTTL3MBTL1MEN1
SCHEMBL8360966 0.70 IDO1 (0.39) MAPTALDH1A1KDM4ERECQLMCL1
SCHEMBL5310831 0.69 HDAC1 (0.56) MAPTHTTL3MBTL1CA12CA2

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 MAPT 545/4885ALDH1A1 2036/4885KDM4E 1648/4885

“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.