SCHEMBL14463542

SCHEMBL14463542

O=C1NC(=O)c2cc([N+](=O)[O-])c(N3CCCCC3)c3cccc1c23

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 3/20 0.42
USP2 O75604 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
RGS12 O14924 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL7709761 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7712259 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL767178 0.76 MEN1 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7709480 0.76 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL28008397 0.76 NPSR1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL27653625 0.76 KMT2A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14524911 0.76 CYP3A4 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12660329 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3421714 0.74 MEN1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14463496 0.74 MEN1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1

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
WO-2016028225-A1 PLATINUM COMPLEXES AS ANTICANCER AGENTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-25 WO disclosed
WO-2007064345-A9 HETEROCYCLIC-SUBSTITUTED BIS-1,8 NAPHTHALIMIDE COMPOUNDS, ANTIBODY DRUG CONJUGATES, AND METHODS OF USE GENENTECH INC (US) 2007-07-12 WO disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 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-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI ALDH1A1 115/4885KMT2A 1301/4885MEN1 1674/4885

“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.