SCHEMBL6789729

SCHEMBL6789729

CC(C(=O)O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
TP53 P04637 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 1/20 0.62
PGR P06401 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.62
DRD1 P21728 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
SCN2A Q99250 3/20 0.58

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
SCHEMBL6783354 0.88 KMT2A (0.53) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL11321180 0.83 PLA2G1B (0.56) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL11442592 0.83 PLA2G1B (0.52) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL14600350 0.81 KMT2A (0.63) KMT2AMEN1GAARAB9ASCN2A
SCHEMBL29663000 0.81 KMT2A (0.63) KMT2AMEN1GAARAB9ASCN2A
SCHEMBL11639237 0.81 PLA2G1B (0.56) KMT2AMEN1GAARAB9ASCN2A
SCHEMBL31207305 0.80 HTR1A (0.64) KMT2AMEN1GAARAB9ASCN2A
SCHEMBL27264219 0.80 HTR1A (0.64) KMT2AMEN1GAARAB9ASCN2A
SCHEMBL28557949 0.80 LMNA (0.54) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL6788274 0.78 MGLL (0.65) KMT2AMEN1TP53SMN1; SMN2LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078709-B1 PREPARATION OF NITROARALKYL CYANIDES AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1986-10-01 EP claimed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP claimed
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US claimed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US claimed
EP-0078709-A2 Preparation of nitroaralkyl cyanides and derivatives thereof ETHYL CORPORATION (US) 1983-05-11 EP claimed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP claimed
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO disclosed
CN-1017527-B Process for preparing optically active oxoisoindolinyl derivatives ERBA FARMITALIA (IT) 1992-07-22 CN disclosed
CN-88101200-A The preparation method of the oxo-isoindolinyl derivatives of optically-active 1988-10-26 CN disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
EP-0078709-B1 PREPARATION OF NITROARALKYL CYANIDES AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1986-10-01 EP disclosed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP disclosed
US-4511729-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-04-16 US disclosed
US-4502996-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US disclosed
US-4502998-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US disclosed
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US disclosed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US disclosed
EP-0078709-A2 Preparation of nitroaralkyl cyanides and derivatives thereof ETHYL CORPORATION (US) 1983-05-11 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 (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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 KMT2A 1495/4885MEN1 3802/4885TP53 10/4885

“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.