SCHEMBL14662957

SCHEMBL14662957

NC1=C(I)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NSD2 O96028 4/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CDC25B P30305 1/20 0.50
P2RX7 Q99572 1/20 0.48
MAOA P21397 3/20 0.48
ADORA2A P29274 3/20 0.48
FGR P09769 1/20 0.48
PIM1 P11309 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
DYRK1A Q13627 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48
PTPRC P08575 4/20 0.48

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
SCHEMBL7711022 0.82 CDC25B (0.65) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL29633565 0.82 CDC25B (0.65) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL29563346 0.82 RAB9A (0.68) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL1510327 0.82 RAB9A (0.68) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL16745451 0.75 RAB9A (0.60) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL6297709 0.73 MAPT (0.56) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL14660371 0.71 ALDH1A1 (1.00) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL10068411 0.71 P2RX7 (0.72) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL228422 0.71 CDC25B (0.56) NPC1RAB9AALDH1A1NSD2POLB
SCHEMBL6861561 0.71 APAF1 (0.61) NPC1RAB9AALDH1A1NSD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372298-B Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2022-04-19 CN claimed
CN-113372298-A Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2021-09-10 CN claimed
CN-113372298-B Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2022-04-19 CN disclosed
CN-113372298-B Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2022-04-19 CN disclosed
CN-113372298-B Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2022-04-19 CN disclosed
CN-113372298-A Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2021-09-10 CN disclosed
CN-113372298-A Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2021-09-10 CN disclosed
CN-113372298-A Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2021-09-10 CN disclosed
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 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-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 NPC1 398/4885RAB9A 1800/4885ALDH1A1 911/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 NPC1 2567/4885RAB9A 2478/4885ALDH1A1 1806/4885

“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.