SCHEMBL14964261

SCHEMBL14964261

N=C(c1nonc1CN1CCOCC1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 3/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 3/20 0.34
FYN P06241 1/20 0.34
MOK Q9UQ07 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TGFBR1 P36897 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL16581822 0.89 EGFR (0.38) LMNAEGFRFYNALDH1A1IDO1
SCHEMBL14964210 0.88 TP53 (0.33) LMNAKMT2AALDH1A1
SCHEMBL4981542 0.88 SOS1 (0.37) LMNAKMT2ARAB9AEGFRALDH1A1
SCHEMBL14964215 0.86 FYN (0.40) LMNAKMT2AEGFRFYNALDH1A1
SCHEMBL14964260 0.85 EGFR (0.39) LMNAEGFRFYNALDH1A1
SCHEMBL15092999 0.84 EGFR (0.35) LMNAKMT2AEGFRFYNPIK3CD
SCHEMBL14964196 0.83 IDO1 (0.32) ALDH1A1IDO1
SCHEMBL5631166 0.83 LMNA (0.40) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL14964179 0.82 HPGD (0.36) KMT2AEGFRIDO1
SCHEMBL14964338 0.82 IDO1 (0.35) KMT2AALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT CYP2A13 625/4885LMNA 4520/4885KMT2A 545/4885

“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.