SCHEMBL14580271

SCHEMBL14580271

NC(CC(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
KMT2A Q03164 4/20 0.43
CYP2C9 P11712 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABBR2 O75899 4/20 0.40
GABBR1 Q9UBS5 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL28542557 0.88 KDM4E (0.44) AKR1B1KMT2A
SCHEMBL11285815 0.83 TSHR (0.47) AKR1B1KMT2AMEN1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL16796889 0.81 KMT2A (0.39) AKR1B1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5720933 0.80 KMT2A (0.51) AKR1B1KMT2AMEN1CYP2D6LMNA
SCHEMBL31701959 0.80 KMT2A (0.51) AKR1B1KMT2AMEN1CYP2D6LMNA
SCHEMBL381519 0.80 KMT2A (0.51) AKR1B1KMT2AMEN1CYP2D6LMNA
SCHEMBL6074933 0.80 AKR1B1 (0.50) AKR1B1KMT2ACYP2C9MEN1CYP2D6
Hydrochloric Acid SCHEMBL19470580 0.80 CTSA (0.37) KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL19470579 0.80 CTSA (0.37) KMT2ASMN1; SMN2
SCHEMBL25253132 0.79 CTSA (0.47) KMT2AMEN1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 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 (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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 AKR1B1 173/4885KMT2A 4178/4885CYP2C9 45/4885

“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.