SCHEMBL4499205

SCHEMBL4499205

O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2CC1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.86
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
RAB9A P51151 2/20 0.60
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA12 O43570 1/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.57
LMNA P02545 3/20 0.56
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
MAPT P10636 1/20 0.55

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
SCHEMBL9152022 0.85 CA12 (0.77) HPGDKMT2AMEN1RAB9ACA1
SCHEMBL12626192 0.84 HPGD (0.63) HPGDKMT2AMEN1RAB9ACA1
SCHEMBL1877246 0.82 KMT2A (0.80) HPGDKMT2AMEN1CA1CA2
SCHEMBL4724436 0.82 KMT2A (0.75) HPGDKMT2AMEN1RAB9ACA1
Ethylene SCHEMBL8378337 0.82 HPGD (0.60) HPGDKMT2AMEN1RAB9ACA1
SCHEMBL110101 0.81 ALDH1A1 (0.72) HPGDKMT2AMEN1CA1CA2
SCHEMBL14221293 0.81 HPGD (0.60) HPGDKMT2AMEN1CA1CA2
SCHEMBL1590712 0.81 KMT2A (0.83) HPGDKMT2AMEN1RAB9ACA1
SCHEMBL27971693 0.81 CA12 (0.70) HPGDKMT2AMEN1RAB9ACA1
SCHEMBL12443201 0.80 HPGD (0.78) HPGDKMT2AMEN1RAB9ACA1

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 6 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
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US 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
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 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 (2 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 HPGD 1513/4885KMT2A 2176/4885MEN1 2916/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HPGD 2420/4885KMT2A 3530/4885MEN1 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.