SCHEMBL4982822

SCHEMBL4982822

ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1CNCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.37
NPC1 O15118 2/20 0.37
SIGMAR1 Q99720 3/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL4982814 1.00 SMN1; SMN2 (0.43) SMN1; SMN2GAAKDM4ENTRK1NTRK2
SCHEMBL5630600 0.97 SMN1; SMN2 (0.43) SMN1; SMN2GAAKDM4ENTRK1NTRK2
SCHEMBL5630603 0.97 SMN1; SMN2 (0.43) SMN1; SMN2GAAKDM4ENTRK1NTRK2
Trifluoroacetic Acid SCHEMBL5632290 0.95 SMN1; SMN2 (0.43) SMN1; SMN2NTRK1NTRK2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5632300 0.95 SMN1; SMN2 (0.43) SMN1; SMN2NTRK1NTRK2KMT2AMEN1
SCHEMBL5632332 0.94 SMN1; SMN2 (0.45) SMN1; SMN2GAAKDM4ENTRK1NTRK2
SCHEMBL5632328 0.94 SMN1; SMN2 (0.45) SMN1; SMN2GAAKDM4ENTRK1NTRK2
Trifluoroacetic Acid SCHEMBL15093525 0.92 SMN1; SMN2 (0.44) SMN1; SMN2GAAKDM4ENTRK1NTRK2
Trifluoroacetic Acid SCHEMBL15093519 0.92 SMN1; SMN2 (0.44) SMN1; SMN2GAAKDM4ENTRK1NTRK2
SCHEMBL4992727 0.89 SMN1; SMN2 (0.47) SMN1; SMN2GAAKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
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
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO 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
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

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 3175/4885GAA 1236/4885KDM4E 1275/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT SMN1; SMN2 3175/4885GAA 1236/4885KDM4E 1275/4885

“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.