SCHEMBL12416716

SCHEMBL12416716

O=C(O)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
PAX8 Q06710 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.56
CA2 P00918 4/20 0.56
SRD5A2 P31213 1/20 0.56
CA1 P00915 2/20 0.55
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.48

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
SCHEMBL16274602 0.82 CYP1A2 (0.61) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL12416591 0.82 CYP1A2 (0.61) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL7821775 0.82 PIM1 (0.53) NPC1RAB9AMAPTLMNAGAA
SCHEMBL11887710 0.82 PTGS1 (0.54) NPC1RAB9AMAPTLMNAGAA
SCHEMBL7821779 0.82 PIM1 (0.53) NPC1RAB9AMAPTLMNAGAA
SCHEMBL11597612 0.81 MAPT (0.60) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL11597609 0.81 MAPT (0.60) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL12416772 0.81 NPC1 (0.57) NPC1RAB9AMAPTLMNAGAA
SCHEMBL15367735 0.78 CA2 (0.86) ALDH1A1CA2CA1MEN1KMT2A
SCHEMBL31397773 0.78 CA2 (0.86) ALDH1A1CA2CA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 NPC1 4112/4885RAB9A 3957/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 NPC1 4112/4885RAB9A 3957/4885MAPT 3638/4885

“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.