SCHEMBL13802484

SCHEMBL13802484

Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
KMT2A Q03164 5/20 0.60
HPGD P15428 1/20 0.58
KCNK2 O95069 1/20 0.58
KCNK10 P57789 1/20 0.58
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
ERO1A Q96HE7 1/20 0.57
MEN1 O00255 4/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
SERPINE1 P05121 1/20 0.53
GFER P55789 1/20 0.53
PYGL P06737 2/20 0.53

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
SCHEMBL2031092 0.93 KCNK2 (0.64) HTTSMN1; SMN2KMT2AHPGDKCNK2
SCHEMBL13802483 0.90 WDR5 (0.60) HTTSMN1; SMN2KMT2AHPGDKCNK2
SCHEMBL13802485 0.87 SERPINE1 (0.59) HTTSMN1; SMN2KMT2AHPGDKCNK2
SCHEMBL14075220 0.84 MEN1 (0.71) HTTSMN1; SMN2KMT2AKCNK2KCNK10
SCHEMBL2024935 0.84 MEN1 (0.71) KMT2AERO1AMEN1MAPTALDH1A1
SCHEMBL2244157 0.83 HTT (0.76) HTTSMN1; SMN2KMT2AHPGDCYP3A4
SCHEMBL4976826 0.81 HTT (0.61) HTTSMN1; SMN2KMT2AHPGDERO1A
SCHEMBL7787033 0.81 KMT2A (0.72) KMT2AKCNK2KCNK10ERO1AMEN1
SCHEMBL5156571 0.80 SMN1; SMN2 (0.67) HTTSMN1; SMN2KMT2ACYP3A4MAPT
SCHEMBL11235113 0.79 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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 HTT 5/4885SMN1; SMN2 37/4885KMT2A 2408/4885

“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.