SCHEMBL12820932

SCHEMBL12820932

N#Cc1ccc(CSc2nc3c(=O)[nH]c(N)nc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ CTSB P07858 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DAO P14920 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TYMS P04818 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12820641 0.84 MEN1 (0.57) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12820639 0.84 MAOB (0.52) MAPTCTSBHPGDSMN1; SMN2ALDH1A1
SCHEMBL12820638 0.84 SCN9A (0.56) MAPTHPGDSMN1; SMN2DAOALDH1A1
SCHEMBL12820629 0.72 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL25932075 0.72 KDM4E (0.45) TP53MAPTCTSBSMN1; SMN2DAO
SCHEMBL12820642 0.70 HSD17B10 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12820579 0.70 HTT (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12820769 0.69 ALDH1A1 (0.47) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL10007309 0.67 KDM4E (0.49) TP53MAPTL3MBTL1TYMSKDM4E
SCHEMBL12820575 0.67 MEN1 (0.45) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 — — US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 — — US disclosed
WO-2011035009-A1 HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-03-24 — — 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 (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-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 TP53 3877/4885MAPT 291/4885CTSB 2218/4885

“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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