SCHEMBL2581955

SCHEMBL2581955

COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.64
RAB9A P51151 10/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
KDM4E B2RXH2 3/20 0.64
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 9/20 0.57
TP53 P04637 3/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.55
GLA P06280 1/20 0.55
BCAT2 O15382 1/20 0.55
MAOB P27338 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52

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
SCHEMBL6813210 0.95 NPC1 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813517 0.90 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11575815 0.87 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17512414 0.87 RAB9A (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813395 0.86 HDAC8 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17512366 0.86 MAPT (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6812535 0.85 EPHX1 (0.63) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17512374 0.85 NPC1 (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11318579 0.84 NPC1 (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17512369 0.83 RAB9A (0.56) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090060905-A1 Use of 15-Lipoxygenase Inhibitors for Treating Obesity GENFIT (FR) 2009-03-05 US claimed
EP-1666883-A1 Diagnostic and monitoring methods for bone loss F. Hoffmann-La Roche AG (CH) 2006-06-07 EP claimed
EP-1476153-A2 METHOD OF TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP claimed
WO-2003066048-A2 USE OF 15-LIPOXYGENASE INHIBITORS FOR TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO claimed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US claimed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
WO-2016029136-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G NORTHWESTERN UNIVERSITY (US) 2016-02-25 WO disclosed
US-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS NORTHWESTERN UNIVERSITY (US) 2016-02-25 US disclosed
US-8048900-B2 Use of 15-lipoxygenase inhibitors for treating obesity GENFIT S.A. (FR) 2011-11-01 US disclosed
US-20090060905-A1 Use of 15-Lipoxygenase Inhibitors for Treating Obesity GENFIT (FR) 2009-03-05 US disclosed
WO-2003066048-A2 USE OF 15-LIPOXYGENASE INHIBITORS FOR TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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-20090060905-A1 Use of 15-Lipoxygenase Inhibitors for Treating Obesity ALOX15, ALOX15B, ALOX12 NPC1 2376/4885RAB9A 3958/4885MAPT 4764/4885
US-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS L3MBTL3, AFG3L2, AMPD3 NPC1 2573/4885RAB9A 3095/4885MAPT 4742/4885
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS NPC1 230/4885RAB9A 4084/4885MAPT 3879/4885

“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.