SCHEMBL14964291

SCHEMBL14964291

N=C(c1nonc1CCn1ccnc1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
CYP19A1 P11511 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 1/20 0.32
EGFR P00533 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
QPCT Q16769 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
SCHEMBL4984072 0.90 IDO1 (0.36) IDO1CYP19A1
SCHEMBL14964273 0.87 ALOX15 (0.40) IDO1LMNAMAPTKMT2AGSK3B
Trifluoroacetic Acid SCHEMBL16581715 0.85 TBXAS1 (0.34) IDO1CYP19A1
SCHEMBL15093226 0.83 IDO1 (0.39) IDO1CYP19A1LMNAKMT2ACYP3A4
SCHEMBL14462037 0.83 ALOX15 (0.41) IDO1CYP19A1LMNAMAPTKMT2A
SCHEMBL14964179 0.82 HPGD (0.36) IDO1MAPTKMT2AEGFR
SCHEMBL16581924 0.81 MAPK1 (0.33) IDO1CYP3A4
SCHEMBL14964196 0.81 IDO1 (0.32) IDO1
SCHEMBL15093370 0.80 ALDH1A1 (0.31)
SCHEMBL14964338 0.79 IDO1 (0.35) IDO1KMT2ACYP1A2CYP3A4CYP2D6

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-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 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 (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 IDO1 1/4885CYP19A1 650/4885LMNA 4520/4885

“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.