SCHEMBL1507652

SCHEMBL1507652

O=[N+]([O-])c1cccc(NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
ALOX12 P18054 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 10/20 0.56
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 3/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
BLM P54132 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 1/20 0.52
CNR1 P21554 1/20 0.50
PKM P14618 1/20 0.49
P2RX1 P51575 1/20 0.49
POLB P06746 4/20 0.49

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
SCHEMBL1507639 0.88 ALDH1A1 (0.59) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL1507727 0.80 MAPT (0.57) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL1336235 0.78 MEN1 (0.74) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13701379 0.76 MAPT (0.42) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL9067783 0.76 MAPT (0.54) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL9067785 0.76 MAPT (0.54) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL13701357 0.76 MEN1 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9068136 0.74 MAPT (0.65) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL9068138 0.74 MAPT (0.65) ALDH1A1ALOX12HPGDMAPTMEN1
SCHEMBL8591778 0.74 KMT2A (0.65) ALDH1A1MAPTMEN1KMT2ARAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305246-B1 Tumor necrosis factor inhibitors UNIV PENNSYLVANIA (US) 2015-08-26 EP disclosed
EP-2305246-B1 Tumor necrosis factor inhibitors UNIV PENNSYLVANIA (US) 2015-08-26 EP disclosed
US-9096607-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-08-04 US disclosed
US-9096607-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-08-04 US disclosed
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-11 US disclosed
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-11 US disclosed
US-8765810-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-01 US disclosed
US-8765810-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-01 US disclosed
EP-2298295-B1 Tumor necrosis factor inhibitors CEPHALON INC (US) 2013-08-28 EP disclosed
EP-2298295-B1 Tumor necrosis factor inhibitors CEPHALON INC (US) 2013-08-28 EP disclosed
US-8318699-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-27 US disclosed
US-8318699-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-27 US disclosed
US-8318699-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-27 US disclosed
EP-2305246-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-04-06 EP disclosed
EP-2305246-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-04-06 EP disclosed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP disclosed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 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 (2 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-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885ALOX12 679/4885HPGD 837/4885
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885ALOX12 679/4885HPGD 837/4885

“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.