SCHEMBL16247077

SCHEMBL16247077

Nc1nc(=O)c2[nH]c(=S)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ XDH P47989 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
Xanthopterin SCHEMBL906221 0.82 ALDH1A1 (0.54) ALDH1A1HPGDUSP2TP53ADORA3
Xanthopterin SCHEMBL2489021 0.81 ALDH1A1 (0.53) ALDH1A1HPGDUSP2TP53ADORA3
Guanine SCHEMBL342789 0.73 ADORA3 (0.62) ALDH1A1HPGDUSP2TP53ADORA3
Guanine SCHEMBL28026510 0.70 ADORA3 (0.59) ALDH1A1HPGDUSP2TP53ADORA3
SCHEMBL1366331 0.67 MAPT (0.37) ALDH1A1HPGDUSP2TP53ADORA3
SCHEMBL3526052 0.66 KDM4E (0.40) ALDH1A1HPGDXDHKDM4EMAPT
SCHEMBL22497884 0.66 ALDH1A1 (0.40) ALDH1A1HPGDUSP2TP53ADORA3
SCHEMBL3528784 0.66 ALDH1A1 (0.40) ALDH1A1HPGDUSP2TP53ADORA3
SCHEMBL3528804 0.66 MAPK1 (0.41) ALDH1A1HPGDXDHKDM4EMAPT
SCHEMBL853172 0.66 ALDH1A1 (0.40) ALDH1A1HPGDXDHSMN1; SMN2KDM4E

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
EP-3004083-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS The California Institute for Biomedical Research (US) 2016-04-13 — — EP 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 ALDH1A1 423/4885HPGD 533/4885USP2 2354/4885

“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.

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