SCHEMBL7213162

SCHEMBL7213162

CCCCC1=CN(c2ccc(C(=O)O)cc2)NN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.47
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
Terephthalic Acid SCHEMBL2944670 0.69 RARB (0.68) RARBMEN1ALDH1A1MAPTKMT2A
Terephthalic Acid SCHEMBL1884274 0.69 RARB (0.68) RARBMEN1ALDH1A1MAPTKMT2A
Terephthalic Acid SCHEMBL27433040 0.69 RARB (0.64) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL181230 0.68 RARB (0.89) RARBMEN1ALDH1A1MAPTKMT2A
Terephthalic Acid SCHEMBL28142960 0.67 TP53 (0.71) RARBMEN1ALDH1A1MAPTKMT2A
Dodecane SCHEMBL9354416 0.67 TP53 (0.71) RARBMEN1ALDH1A1MAPTKMT2A
Terephthalic Acid SCHEMBL28103847 0.67 RARB (0.66) RARBMEN1ALDH1A1MAPTKMT2A
Tetradecane SCHEMBL30605685 0.67 TP53 (0.71) RARBMEN1ALDH1A1MAPTKMT2A
Terephthalic Acid SCHEMBL28502502 0.67 TP53 (0.71) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL5448932 0.67 RARB (0.86) RARBMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 US disclosed
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 RARB 630/4885MEN1 2374/4885ALDH1A1 171/4885

“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.