SCHEMBL17287403

SCHEMBL17287403

CCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.61
VCAM1 P19320 4/20 0.56
LMNA P02545 5/20 0.55
MAPK1 P28482 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
RAF1 P04049 1/20 0.55
HPGD P15428 1/20 0.55
GFER P55789 1/20 0.55
PAX8 Q06710 1/20 0.55
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
NPC1 O15118 3/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL28514589 0.95 ESR1 (0.69) ESR1VCAM1LMNAMAPK1ALDH1A1
SCHEMBL9489683 0.95 ESR1 (0.69) ESR1VCAM1LMNAMAPK1ALDH1A1
SCHEMBL18134964 0.95 ESR1 (0.69) ESR1VCAM1LMNAMAPK1ALDH1A1
SCHEMBL17287371 0.90 ESR1 (0.58) ESR1LMNAMAPK1ALDH1A1MAPT
SCHEMBL260606 0.86 KMT2A (0.64) VCAM1LMNAMAPK1ALDH1A1MAPT
SCHEMBL3647689 0.85 ESR1 (0.66) ESR1LMNAMAPK1ALDH1A1MAPT
SCHEMBL2648155 0.85 VCAM1 (0.57) VCAM1LMNAMAPK1ALDH1A1MAPT
SCHEMBL2660151 0.85 VCAM1 (0.60) VCAM1LMNAMAPK1ALDH1A1MAPT
SCHEMBL28978011 0.84 KMT2A (0.51) ESR1LMNAMAPK1ALDH1A1MAPT
SCHEMBL17542258 0.84 ESR1 (0.61) ESR1LMNAMAPK1ALDH1A1MAPT

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-10233165-B2 Cyclopropylamine compounds as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-03-19 US disclosed
EP-3148974-B1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2018-09-26 EP disclosed
US-20170190680-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-07-06 US disclosed
EP-3148974-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2017-04-05 EP disclosed
WO-2015181380-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-12-03 WO disclosed
EP-2949648-A1 Cyclopropylamine derivatives as histone demethylase inhibitors IEO - Istituto Europeo di Oncologia Srl (IT) 2015-12-02 EP 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-10233165-B2 Cyclopropylamine compounds as histone demethylase inhibitors KDM1B, PHF2, KDM6B ESR1 2969/4885VCAM1 2768/4885LMNA 3754/4885
US-20170190680-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM1B, PHF2, KDM6B ESR1 2969/4885VCAM1 2768/4885LMNA 3754/4885

“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.