SCHEMBL13093155

SCHEMBL13093155

CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.80
MAPT P10636 9/20 0.80
MEN1 O00255 8/20 0.80
LMNA P02545 5/20 0.80
HTT P42858 4/20 0.80
HPGD P15428 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
ALDH1A1 P00352 6/20 0.69
NPSR1 Q6W5P4 2/20 0.69
MAPK1 P28482 1/20 0.68
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
POLB P06746 3/20 0.56
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
RAB9A P51151 1/20 0.51
NOD2 Q9HC29 1/20 0.51
ATM Q13315 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
SCHEMBL1706183 0.91 KMT2A (0.65) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13093172 0.85 MEN1 (0.71) KMT2AMAPTMEN1LMNAHTT
SCHEMBL10923174 0.85 NPSR1 (0.73) KMT2AMAPTMEN1LMNAHTT
Hydrochloric Acid SCHEMBL10923110 0.85 MEN1 (0.70) KMT2AMAPTMEN1LMNAHTT
SCHEMBL11062193 0.84 MEN1 (0.81) KMT2AMAPTMEN1LMNAHTT
SCHEMBL3902453 0.83 KMT2A (0.73) KMT2AMAPTMEN1LMNAHTT
SCHEMBL10922273 0.83 MEN1 (0.80) KMT2AMAPTMEN1LMNAHTT
SCHEMBL11768427 0.83 MEN1 (0.67) KMT2AMAPTMEN1LMNAHTT
SCHEMBL6939392 0.83 MEN1 (0.79) KMT2AMAPTMEN1LMNAHTT
SCHEMBL19396761 0.82 MAPT (0.59) KMT2AMAPTMEN1LMNAHTT

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-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules THE BURNHAM INSTITUTE 2010-10-14 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-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 KMT2A 3608/4885MAPT 1054/4885MEN1 4206/4885

“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.