SCHEMBL17154408

SCHEMBL17154408

Nc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
NT5E P21589 1/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL1504456 0.92 ACHE (0.57) ACHETDP1ALDH1A1TSHRGAA
SCHEMBL10006501 0.85 HTT (0.57) ACHETDP1ALDH1A1RAB9AMEN1
SCHEMBL4164352 0.83 ACHE (0.52) ACHETDP1ALDH1A1GAATHRB
SCHEMBL28253360 0.82 ACHE (0.51) ACHETDP1ALDH1A1CYP3A4TSHR
SCHEMBL4164355 0.82 SMN1; SMN2 (0.53) ACHETDP1ALDH1A1CYP3A4GAA
SCHEMBL31657710 0.82 ACHE (0.57) ACHETDP1ALDH1A1CYP3A4TSHR
SCHEMBL4158593 0.82 ACHE (0.57) ACHETDP1ALDH1A1CYP3A4TSHR
SCHEMBL17154381 0.81 ACHE (0.52) ACHETDP1ALDH1A1TXNRD1TXNRD3
SCHEMBL17154422 0.81 ACHE (0.49) ACHETDP1ALDH1A1CYP3A4TSHR
SCHEMBL27897498 0.80 KMT2A (0.67) ALDH1A1THRBMEN1KMT2AHTT

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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
US-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
WO-2015153535-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MiRx Pharmaceuticals, LLC (US) 2015-10-08 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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT TP53, DDX3X, API5 ACHE 3797/4885TDP1 1014/4885ALDH1A1 2220/4885

“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.