SCHEMBL3574701

SCHEMBL3574701

O=C1NC(=O)c2ccc3c4ccc(-c5cccc6c([N+](=O)[O-])cccc56)c5cccc(c6ccc1c2c63)c54

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
PARP1 P09874 3/20 0.44
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 2/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
APEX1 P27695 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL767178 0.82 MEN1 (0.63) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4693548 0.80 TDP1 (0.53) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL22223633 0.74 TDP1 (0.55) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL10955735 0.74 MEN1 (0.52) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL9079985 0.74 MEN1 (0.52) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL29541 0.73 PARP1 (0.50) TDP1MEN1KMT2APARP1POLB
SCHEMBL7598089 0.73 PARP1 (0.50) TDP1MEN1KMT2APARP1POLB
SCHEMBL7601076 0.73 PARP1 (0.50) TDP1MEN1KMT2APARP1POLB
SCHEMBL30606639 0.73 PARP1 (0.50) TDP1MEN1KMT2APARP1POLB
SCHEMBL20088330 0.72 MAPT (0.51) TDP1ALDH1A1MEN1KMT2APARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 US claimed
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 US claimed
US-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 US disclosed
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 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-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides CRYAA, UACA, CYP3A43 TDP1 2601/4885ALDH1A1 1016/4885MEN1 3150/4885

“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.