SCHEMBL1276121

SCHEMBL1276121

COc1ccc(COc2nccc(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAOB P27338 1/20 0.45
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PIK3CA P42336 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
PDE2A O00408 1/20 0.42

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
SCHEMBL24737347 0.84 APP (0.49) APPNPC1RAB9AMAOBIDO1
SCHEMBL1275205 0.80 PIN1 (0.49) MAOBALDH1A1LMNACLK4POLB
SCHEMBL1415469 0.80 ALDH1A1 (0.57) RAB9ASMN1; SMN2ALDH1A1LMNACLK4
SCHEMBL31080534 0.80 NPC1 (0.61) APPNPC1RAB9AMAOBIDO1
SCHEMBL14958421 0.79 APP (0.58) APPNPC1RAB9AMAOBIDO1
SCHEMBL31254878 0.79 PDE2A (0.46) APPNPC1RAB9AMAOBIDO1
SCHEMBL24738071 0.79 APP (0.50) APPNPC1RAB9AMAOBIDO1
SCHEMBL6401853 0.79 APP (0.50) APPNPC1RAB9AMAOBIDO1
SCHEMBL23277161 0.78 SMN1; SMN2 (0.50) APPNPC1RAB9AMAOBIDO1
SCHEMBL30378200 0.77 NPC1 (0.44) NPC1RAB9AMAOBSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-09-01 US disclosed
EP-3205647-B1 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-13 EP disclosed
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2019-02-07 US disclosed
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-08-21 US disclosed
EP-3205647-A2 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Memorial Sloan-Kettering Cancer Center (US) 2017-08-16 EP disclosed
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-06-15 US disclosed
US-9567318-B2 Substituted pyrimidine compounds and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-14 US disclosed
WO-2011022440-A9 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2016-11-10 WO disclosed
EP-2467142-B1 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders SLOAN KETTERING INST CANCER (US) 2016-09-21 EP disclosed
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2012-10-04 US disclosed
EP-2467142-A2 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME Memorial Sloan-Kettering Cancer Center (US) 2012-06-27 EP disclosed
WO-2011022440-A2 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2011-02-24 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 (5 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-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 APP 955/4885NPC1 2801/4885RAB9A 4162/4885
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 APP 955/4885NPC1 2801/4885RAB9A 4162/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 APP 955/4885NPC1 2801/4885RAB9A 4162/4885
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 APP 955/4885NPC1 2801/4885RAB9A 4162/4885
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 APP 955/4885NPC1 2801/4885RAB9A 4162/4885

“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.