SCHEMBL15045784

SCHEMBL15045784

O=C1NC(=O)/C(=C/c2c[nH]c3c(Cl)cccc23)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
TDO2 P48775 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.41
PTPN1 P18031 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NR4A2 P43354 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
SCHEMBL13254622 0.77 RIPK1 (0.44) TDO2MEN1KMT2AHPGDALDH1A1
SCHEMBL3467353 0.77 NTRK1 (0.56) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL3467529 0.77 NTRK1 (0.56) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL3467350 0.77 NTRK1 (0.56) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL11134601 0.76 GSK3B (0.54) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL670824 0.74 TRIM24 (0.64) TDO2MEN1KMT2AALDH1A1DYRK1A
SCHEMBL23600355 0.72 CHEK1 (0.58) GSK3BMEN1KMT2AHPGDALDH1A1
SCHEMBL3467238 0.70 MEN1 (0.72) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL3467241 0.70 MEN1 (0.72) GSK3BMEN1KMT2APOLBHSP90AA1
SCHEMBL3467236 0.70 MEN1 (0.72) GSK3BMEN1KMT2APOLBHSP90AA1

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-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 US 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-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS HTRA2, AIFM1, BAD GSK3B 1530/4885TDO2 3380/4885MEN1 3850/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 GSK3B 123/4885TDO2 4473/4885MEN1 1475/4885

“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.