SCHEMBL6818005

SCHEMBL6818005

COc1ccc(NC(=O)c2ccc(OC)c(N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
TP53 P04637 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 4/20 0.68
ALOX15 P16050 1/20 0.67
CYP2C9 P11712 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
PLAU P00749 2/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.57
CYP1A2 P05177 2/20 0.57

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
SCHEMBL11309004 0.91 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11147327 0.89 POLB (0.63) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL17507452 0.89 KMT2A (0.59) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL13175829 0.89 NPC1 (0.67) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL4611238 0.89 MEN1 (0.63) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL6809736 0.89 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL27764460 0.88 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11573269 0.88 NPC1 (0.67) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL6813064 0.87 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1CASP3
SCHEMBL6813395 0.87 HDAC8 (0.64) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2016029136-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G NORTHWESTERN UNIVERSITY (US) 2016-02-25 WO disclosed
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP 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 (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-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS L3MBTL3, AFG3L2, AMPD3 NPC1 2573/4885RAB9A 3095/4885TP53 1002/4885
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS NPC1 230/4885RAB9A 4084/4885TP53 3287/4885

“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.