SCHEMBL4524927

SCHEMBL4524927

COc1ccc([N+](=O)[O-])cc1CN(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 11/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 4/20 0.54
KMT2A Q03164 5/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MEN1 O00255 4/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LCK P06239 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP19A1 P11511 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL4361623 0.86 TDP1 (0.53) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL8964829 0.85 TDP1 (0.62) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL8973475 0.85 TDP1 (0.62) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL3749823 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL922726 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL3749821 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL18216619 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL29560265 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL215804 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT
SCHEMBL4652150 0.82 TDP1 (0.58) TDP1ALDH1A1LMNAHPGDHTT

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 TDP1 2226/4885ALDH1A1 2449/4885LMNA 1025/4885

“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.