SCHEMBL10112978

SCHEMBL10112978

COc1cc(/C=N\O)cnc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL10131337 0.77 FDPS (0.50) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL7120261 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL7120256 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL9467516 0.71 RPS6KA3 (0.62) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL9467522 0.71 RPS6KA3 (0.62) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL3471747 0.71 HPGD (0.59) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL15463039 0.71 HPGD (0.59) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL3471744 0.71 HPGD (0.59) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL31484622 0.71 KMT2A (0.74) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL28007520 0.71 KMT2A (0.74) ALDH1A1KMT2AMEN1HTTHPGD

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
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ALDH1A1 1104/4885KMT2A 4253/4885MEN1 1657/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ALDH1A1 1148/4885KMT2A 4446/4885MEN1 1882/4885

“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.