SCHEMBL608538

SCHEMBL608538

CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
HTT P42858 3/20 1.00
KDM4E B2RXH2 9/20 0.88
SMN1; SMN2 Q16637 4/20 0.88
LMNA P02545 4/20 0.88
TDP1 Q9NUW8 3/20 0.88
HSP90AA1 P07900 2/20 0.88
MITF O75030 1/20 0.88
ALOX12 P18054 9/20 0.75
L3MBTL1 Q9Y468 4/20 0.75
MCL1 Q07820 1/20 0.68
ADAMTS5 Q9UNA0 3/20 0.67
POLB P06746 1/20 0.66
TP53 P04637 1/20 0.63
THRB P10828 1/20 0.63

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
SCHEMBL15783174 0.94 RAB9A (1.00) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4044936 0.90 NPC1 (0.82) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL2153027 0.90 NPC1 (1.00) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4044460 0.89 NPC1 (0.81) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL609006 0.89 ADAMTS5 (0.84) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL1811921 0.89 ADAMTS5 (0.82) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL609111 0.88 RAB9A (0.82) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL2153098 0.88 NPC1 (0.80) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL26242169 0.87 HTT (0.77) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL27790131 0.87 KDM4E (0.78) NPC1RAB9AKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US claimed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US claimed
EP-3137079-A1 INHIBITORS OF JMJD2C AS ANTICANCER AGENTS The J. David Gladstone Institutes (US) 2017-03-08 EP claimed
US-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents THE J. DAVID GLADSTONE INSTITUTES 2017-02-16 US claimed
WO-2015167874-A1 INHIBITORS OF JMJD2C AS ANTICANCER AGENTS THE J. DAVID GLADSTONE INSTITUTES (US) 2015-11-05 WO claimed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US claimed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 WO claimed
US-11701374-B1 8-hydroxy quinoline derivatives for enhancing telomerase reverse transcriptase (TERT) expression SIERRA SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11701374-B1 8-hydroxy quinoline derivatives for enhancing telomerase reverse transcriptase (TERT) expression SIERRA SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US disclosed
US-10745390-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-08-18 US disclosed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US disclosed
US-9695157-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-07-04 US disclosed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US disclosed
US-9000009-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-04-07 US disclosed
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 WO disclosed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 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 (8 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-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 NPC1 1257/4885RAB9A 1259/4885KMT2A 3433/4885
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 NPC1 1684/4885RAB9A 4336/4885KMT2A 4294/4885
US-11701374-B1 8-hydroxy quinoline derivatives for enhancing telomerase reverse transcriptase (TERT) expression TERT, TERF2, RNGTT NPC1 3227/4885RAB9A 2175/4885KMT2A 280/4885
US-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents KDM2A, KDM1B, KDM5C NPC1 3394/4885RAB9A 2430/4885KMT2A 24/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 NPC1 1257/4885RAB9A 1259/4885KMT2A 3433/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 NPC1 1267/4885RAB9A 1391/4885KMT2A 3504/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 NPC1 1257/4885RAB9A 1259/4885KMT2A 3433/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 NPC1 1257/4885RAB9A 1259/4885KMT2A 3433/4885

“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.