SCHEMBL2144453

SCHEMBL2144453

COc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 12/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL27085902 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL15847583 0.81 MAPT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL16541886 0.81 CA2 (0.53) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL28712446 0.81 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
Bromide SCHEMBL16180801 0.79 CA2 (0.52) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL31090163 0.79 SMN1; SMN2 (0.61) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL16233087 0.79 SMN1; SMN2 (0.61) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL13403262 0.78 KDM1A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL8297975 0.77 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL2144460 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TDP1SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP claimed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 EP claimed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 US claimed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 US claimed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 WO claimed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP disclosed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP disclosed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP disclosed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 EP disclosed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 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 (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-20030220404-A1 Process for the preparation of combretastatins TGFB2, HMGCR, TGFB1 MEN1 487/4885KMT2A 969/4885ALDH1A1 2753/4885
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 MEN1 3474/4885KMT2A 4266/4885ALDH1A1 643/4885

“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.