SCHEMBL14713558

SCHEMBL14713558

C[N+](CCO)(CCO)Cc1ccc(-c2ccc(C[N+](C)(CCO)CCO)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.37
PDK1 Q15118 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SNCA P37840 2/20 0.36
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL14713553 0.85 MAPT (0.40) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL14713514 0.81 PDK1 (0.36) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL14713517 0.77 PDK1 (0.46) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL14713552 0.76 TDP1 (0.52) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL12704952 0.75 CRHBP (0.49) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL19998231 0.72 TSHR (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL14713515 0.71 ERN1 (0.43) MAPTPOLBTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8435258 0.71 TSHR (0.50) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL23529914 0.69 CRHBP (0.57) MAPTPOLBTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL11439576 0.69 SMN1; SMN2 (0.57) MAPTPOLBMEN1KMT2ACYP1A2

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-8962670-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-8637490-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2014-01-28 US disclosed
US-20130045949-A1 ANTI-CANCER AGENTS UWM RESEARCH FOUNDATION, INC. (US) 2013-02-21 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-20130045949-A1 ANTI-CANCER AGENTS TP53, MCL1, HRAS MAPT 4804/4885POLB 650/4885TDP1 1550/4885

“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.