SCHEMBL13802483

SCHEMBL13802483

Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.60
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PDPK1 O15530 1/20 0.57
CYTH3 O43739 1/20 0.57
AKT1 P31749 1/20 0.57
KMT2A Q03164 4/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
HPGD P15428 1/20 0.52
KCNK2 O95069 1/20 0.52
KCNK10 P57789 1/20 0.52
MAPT P10636 1/20 0.51
ERO1A Q96HE7 1/20 0.51
MEN1 O00255 3/20 0.50
PYGL P06737 2/20 0.50
PABPC1 P11940 1/20 0.50
DUSP3 P51452 1/20 0.50

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
SCHEMBL13802484 0.90 HTT (0.74) HTTSMN1; SMN2KMT2AAKR1C4AKR1C3
SCHEMBL2031092 0.88 KCNK2 (0.64) HTTSMN1; SMN2KMT2AAKR1C4AKR1C3
SCHEMBL2024935 0.84 MEN1 (0.71) KMT2AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11235113 0.82 ALDH1A1 (0.58) SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL13802485 0.82 SERPINE1 (0.59) HTTSMN1; SMN2PDPK1AKT1KMT2A
SCHEMBL5156571 0.80 SMN1; SMN2 (0.67) HTTSMN1; SMN2KMT2AAKR1C4AKR1C3
SCHEMBL5195573 0.80 GRIK1 (0.55) HTTSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7787033 0.79 KMT2A (0.72) KMT2AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10542066 0.77 ALDH1A1 (0.55) HTTSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7974577 0.77 ALDH1A1 (0.55) SMN1; SMN2KMT2AAKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 WDR5 1904/4885HTT 5/4885SMN1; SMN2 37/4885

“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.