SCHEMBL1806187

SCHEMBL1806187

[NH]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.74
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
RAF1 P04049 1/20 0.57
MAPK1 P28482 1/20 0.57
GFER P55789 1/20 0.57
PAX8 Q06710 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL1258621 0.85 VCAM1 (1.00) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL922714 0.84 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.84 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.84 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8625340 0.84 VCAM1 (0.96) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8625278 0.83 VCAM1 (0.87) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL239454 0.82 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10957612 0.82 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 0.82 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608942 0.82 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
US-4061751-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of foot rot and liver lesions in ruminant animals AMERICAN CYANAMID COMPANY (US) 1977-12-06 US claimed
US-4060614-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of hemorrhagic colitis in swine AMERICAN CYANAMID COMPANY (US) 1977-11-29 US claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO disclosed
US-4663353-A Antibacterial fatty anilides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1987-05-05 US disclosed
US-4061751-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of foot rot and liver lesions in ruminant animals AMERICAN CYANAMID COMPANY (US) 1977-12-06 US disclosed
US-4060614-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of hemorrhagic colitis in swine AMERICAN CYANAMID COMPANY (US) 1977-11-29 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 (3 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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 VCAM1 1552/4885ALDH1A1 53/4885MEN1 942/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 VCAM1 609/4885ALDH1A1 218/4885MEN1 592/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 VCAM1 1615/4885ALDH1A1 36/4885MEN1 974/4885

“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.