SCHEMBL7096578

SCHEMBL7096578

CCOC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
MAPT P10636 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
HPGD P15428 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
RXFP1 Q9HBX9 3/20 0.74
LMNA P02545 2/20 0.69
TSHR P16473 1/20 0.69
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.56
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49

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
SCHEMBL7099764 0.82 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7095984 0.81 NPC1 (0.68) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7095426 0.79 NPC1 (0.75) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7099332 0.78 NPC1 (0.78) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7101176 0.78 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7097002 0.78 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7099755 0.78 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7096050 0.77 NPC1 (0.63) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL3643755 0.75 RAB9A (0.60) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL7095985 0.75 KMT2A (0.76) RAB9ANPC1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
CN-1202109-A Kainic acid neuronotoxicity inhibitors and pyridothioazine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 CN disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP 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 (1 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA RAB9A 4056/4885NPC1 1022/4885MAPT 4875/4885

“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.