SCHEMBL16264455

SCHEMBL16264455

CCOC(=O)c1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.58
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
AHR P35869 1/20 0.47
PDK1 Q15118 1/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.45
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL24960020 0.84 ALDH1A1 (0.60) CYP2C9POLBMAPTNPC1HPGD
SCHEMBL3581572 0.78 MAPT (0.44) CYP2C9MAPTCYP1A2NPC1HPGD
SCHEMBL211598 0.78 ALDH1A1 (0.69) CYP2C9MAPTCYP1A2NPC1HPGD
SCHEMBL9216519 0.78 ALDH1A1 (0.56) CYP2C9POLBMAPTHPGDKDM4E
SCHEMBL30807050 0.77 MAPT (0.41) CYP2C9MAPTCYP1A2NPC1HPGD
SCHEMBL25224853 0.77 HSD17B10 (0.41) CYP2C9MAPTCYP1A2NPC1HPGD
SCHEMBL1661700 0.77 MAPT (0.41) CYP2C9MAPTCYP1A2NPC1HPGD
SCHEMBL30943923 0.77 PDK1 (0.56) CYP2C9POLBMAPTNPC1HPGD
SCHEMBL2645378 0.77 PDK1 (0.56) CYP2C9POLBMAPTNPC1HPGD
SCHEMBL9217586 0.77 PDK1 (0.50) CYP2C9POLBMAPTKDM4EAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 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 (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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 CYP2C9 1792/4885POLB 863/4885MAPT 1082/4885

“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.