SCHEMBL3528784

SCHEMBL3528784

Nc1nc(=O)c2nc(I)cnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PMP22 Q01453 1/20 0.40
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 2/20 0.33
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PNP P00491 2/20 0.32
NOS1 P29475 3/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL3526052 0.83 KDM4E (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3528804 0.79 MAPK1 (0.41) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL22497884 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL853172 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL11103941 0.79 KDM4E (0.37) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL14403234 0.77 NOS1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL398502 0.77 KDM4E (0.38) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL6444231 0.76 NOS1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL1981722 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3631374 0.76 NOS1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 EP claimed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 WO claimed
US-7732599-B2 from neopterin and/or 6-substituted pterins with improved yield and high stereoselectivity; reduction catalysts BIOMARIN PHARMACEUTICAL INC. (US) 2010-06-08 US disclosed
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin MERCK EPROVA AG (CH) 2007-10-18 US disclosed
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 EP disclosed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 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-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin SPR, DHPS, BLVRB ALDH1A1 3894/4885KDM4E 4433/4885HSD17B10 1062/4885

“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.