SCHEMBL5631087

SCHEMBL5631087

ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1Cn1nnc(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HDAC6 Q9UBN7 1/20 0.39
KCNJ6 P48051 3/20 0.38
KCNJ5 P48544 3/20 0.38
KCNJ3 P48549 3/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5631078 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HDAC6KCNJ6KCNJ5KCNJ3
SCHEMBL14980209 0.89 SMN1; SMN2 (0.45) SMN1; SMN2HDAC6KCNJ6KCNJ5KCNJ3
SCHEMBL5630621 0.87 PTGDR2 (0.40) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL14442471 0.87 PTGDR2 (0.40) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL5630611 0.87 PTGDR2 (0.40) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL5630450 0.87 RAB9A (0.40) SMN1; SMN2HDAC6KCNJ6KCNJ5KCNJ3
SCHEMBL5630440 0.87 RAB9A (0.40) SMN1; SMN2HDAC6KCNJ6KCNJ5KCNJ3
SCHEMBL5630412 0.86 IDO1 (0.39) SMN1; SMN2MAPTIDO1MEN1KMT2A
SCHEMBL4985147 0.86 IDO1 (0.39) SMN1; SMN2MAPTIDO1MEN1KMT2A
SCHEMBL4984476 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MAPTIDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
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
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT SMN1; SMN2 3175/4885HDAC6 245/4885KCNJ6 4107/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT SMN1; SMN2 3175/4885HDAC6 245/4885KCNJ6 4107/4885

“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.