SCHEMBL1394239

SCHEMBL1394239

[O-][n+]1cc(I)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.50
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 3/20 0.32
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4164409 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL13806417 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL8512795 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL2796407 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL7479947 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL25413825 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL1285478 0.75 ATM (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL3732872 0.73 ATM (0.39) ATMKDM4E
SCHEMBL2008748 0.73 PARP1 (0.50) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL19366748 0.71 ATM (0.36) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206131-B2 Compounds having antiparasitic or anti-infectious activity OREGON HEALTH & SCIENCE UNIVERSITY (US) 2015-12-08 US disclosed
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-02-13 US disclosed
US-8598354-B2 Compounds having antiparasitic or anti-infectious activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-12-03 US disclosed
WO-2012167237-A2 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY MEDICINES FOR MALARIA VENTURE (CH) 2012-12-06 WO disclosed
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY 2012-05-10 US disclosed
US-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA DBA THE DEPARTMENT OF VETERANS AFFAIRS 2012-01-12 US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US disclosed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US disclosed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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 (4 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-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ATM 242/4885MEN1 4406/4885KMT2A 3298/4885
US-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY MASTL, RPS10, CBR3 ATM 4243/4885MEN1 4637/4885KMT2A 3402/4885
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 ATM 4169/4885MEN1 3602/4885KMT2A 3053/4885
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 ATM 4131/4885MEN1 3614/4885KMT2A 2928/4885

“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.