SCHEMBL11413664

SCHEMBL11413664

Oc1ccc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 6/20 0.54
THRB P10828 2/20 0.54
HPGD P15428 2/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
PTK6 Q13882 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL11413668 1.00 MAPT (0.63) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL15600613 0.85 SMN1; SMN2 (0.67) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11416814 0.84 ALDH1A1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11416812 0.84 ALDH1A1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11410030 0.83 MAPT (0.72) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11410028 0.83 MAPT (0.72) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL12416679 0.79 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11420516 0.79 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL11420517 0.79 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL22624763 0.79 FNTA (0.57) MAPTSMN1; SMN2LMNAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4226615-A HALOGEN-SUBSTITUTED SALICYLIDENEIMINES; SOYBEANS MONSANTO COMPANY (US) 1980-10-07 US claimed
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 MAPT 3638/4885SMN1; SMN2 1896/4885LMNA 947/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885SMN1; SMN2 1896/4885LMNA 947/4885

“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.