SCHEMBL5376533

SCHEMBL5376533

CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.84
MAPT P10636 5/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
CA2 P00918 7/20 0.50
VCAM1 P19320 5/20 0.50
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 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
Oryzalin SCHEMBL55377 0.91 TDP1 (1.00) TDP1MAPTCYP3A4MAPK1PKM
Oryzalin SCHEMBL8536571 0.91 TDP1 (1.00) TDP1MAPTCYP3A4MAPK1PKM
Oryzalin SCHEMBL28500496 0.90 TDP1 (0.97) TDP1MAPTCYP3A4MAPK1PKM
Oryzalin SCHEMBL28906635 0.90 TDP1 (0.97) TDP1MAPTCYP3A4MAPK1PKM
SCHEMBL11576930 0.87 TDP1 (0.63) TDP1MAPTCYP3A4MAPK1PKM
Nitralin SCHEMBL8338510 0.86 TDP1 (0.89) TDP1MAPTCYP3A4MAPK1PKM
Benfluralin SCHEMBL10614193 0.85 CYP3A4 (0.75) TDP1MAPTCYP3A4MAPK1PKM
Oryzalin SCHEMBL6950420 0.83 TDP1 (0.82) TDP1MAPTCYP3A4MAPK1PKM
SCHEMBL12190303 0.82 TDP1 (0.58) TDP1MAPTCYP3A4MAPK1PKM
SCHEMBL11808614 0.82 MAPT (0.64) TDP1MAPTCYP3A4MAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227982-A1 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin WERBOVETZ KARL 2005-10-13 US claimed
EP-1560574-A2 ANTILEISHMANIAL DINITROANILINE SULFONAMIDES WITH ACTIVITY AGAINST PARASITE TUBULIN THE OHIO STATE UNIVERSITY (US) 2005-08-10 EP claimed
WO-2003090678-A2 ANTILEISHMANIAL DINITROANILINE SULFONAMIDES WITH ACTIVITY AGAINST PARASITE TUBULIN OHIO STATE UNIVERSITY (US) 2003-11-06 WO claimed
US-7211696-B2 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin THE OHIO STATE UNIVERSITY (US) 2007-05-01 US disclosed
US-20050227982-A1 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin WERBOVETZ KARL 2005-10-13 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-20050227982-A1 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin TUBB, TUBB2A, TUBA1A TDP1 2582/4885MAPT 1840/4885CYP3A4 3833/4885

“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.