SCHEMBL12820575

SCHEMBL12820575

COCCSc1nc2c(=O)[nH]c(N)nc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL12820579 0.84 HTT (0.46) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12820642 0.81 HSD17B10 (0.43) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL10007309 0.76 KDM4E (0.49) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL12820769 0.74 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12820641 0.72 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL20646249 0.72 PNP (0.37) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL12820638 0.71 SCN9A (0.56) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL12958939 0.70 DAO (0.50) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL12820639 0.69 MAOB (0.52) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL1043887 0.69 KDM4E (0.49) KDM4EALDH1A1LMNAGLAPMP22

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 MEN1 4594/4885KMT2A 3807/4885KDM4E 3044/4885

“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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