SCHEMBL3883555

SCHEMBL3883555

Cn1c(-c2ccccc2)nc(I)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
HSD11B1 P28845 3/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL27216916 0.84 ATM (0.45) ATMNPC1RAB9ANR1H2NR1H3
SCHEMBL28078998 0.76 LMNA (0.46) NPC1RAB9ANR1H2NR1H3ADORA3
SCHEMBL1720026 0.76 PTGS2 (0.49) ADORA2BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1720485 0.73 TDP2 (0.44) NPC1RAB9AHSD11B1KDM4EALDH1A1
SCHEMBL1719327 0.73 HSD11B1 (0.48) NPC1RAB9AHSD11B1MEN1KMT2A
SCHEMBL1719460 0.72 HSD11B1 (0.45) HSD11B1
SCHEMBL28078996 0.72 ALDH1A1 (0.58) RAB9ANR1H3MEN1KMT2AKDM4E
SCHEMBL5795858 0.71 ATM (0.47) ATMNPC1RAB9ANR1H2NR1H3
SCHEMBL7454054 0.69 HSD11B1 (0.53) NPC1RAB9ANR1H2NR1H3HSD11B1
SCHEMBL27690602 0.69 ATM (0.46) ATMNPC1RAB9ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753788-A Preparation method of 1-substituted-2-phenyl-4-idoimidazole 西南科技大学 2016-07-13 CN disclosed
EP-1483273-B1 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2009-01-07 EP disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation BERENS ULRICH 2006-10-26 US disclosed
US-7094907-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2006-08-22 US disclosed
US-20040260091-A1 Ligands for asymmetric reactions SOLVIAS AG (CH) 2004-12-23 US disclosed
EP-1483273-A2 LIGANDS FOR ASYMMETRIC REACTIONS Solvias AG (CH) 2004-12-08 EP disclosed
WO-2003031456-A2 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2003-04-17 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 (2 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-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation NR2E3, WNK2, OXSR1 ATM 2422/4885NPC1 4332/4885RAB9A 4600/4885
US-20040260091-A1 Ligands for asymmetric reactions COASY, ICMT, AP2M1 ATM 3878/4885NPC1 3802/4885RAB9A 2344/4885

“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.