SCHEMBL3368022

SCHEMBL3368022

O=C(Nc1ccccc1)c1ccc[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.70
NAPRT Q6XQN6 1/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
BLM P54132 1/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CFTR P13569 1/20 0.55
RAB9A P51151 2/20 0.55
METAP2 P50579 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL21938137 0.94 TYK2 (0.68) TYK2NAPRTKMT2AMEN1TDP1
SCHEMBL114359 0.85 TYK2 (0.65) TYK2NAPRTKMT2AALDH1A1KDM4E
SCHEMBL1161155 0.85 TYK2 (0.69) TYK2NAPRTKMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL2591261 0.84 TYK2 (0.68) TYK2NAPRTKMT2AMEN1TDP1
SCHEMBL3635868 0.83 TYK2 (1.00) TYK2NAPRTKMT2AALDH1A1KDM4E
SCHEMBL19779998 0.82 MEN1 (0.61) TYK2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7285113 0.82 TYK2 (0.64) TYK2NAPRTKMT2AMEN1ALDH1A1
SCHEMBL9936655 0.81 KDM4E (0.61) TYK2KMT2AMEN1TDP1ALDH1A1
SCHEMBL3637225 0.79 TYK2 (0.73) TYK2KMT2AMEN1RAB9ANPC1
SCHEMBL437231 0.79 ALDH1A1 (0.87) KMT2AMEN1TDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TYK2 4187/4885NAPRT 590/4885KMT2A 2098/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TYK2 4187/4885NAPRT 590/4885KMT2A 2098/4885

“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.