SCHEMBL5632082

SCHEMBL5632082

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1CN1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
LMNA P02545 2/20 0.38
MALT1 Q9UDY8 4/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 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
SCHEMBL5632095 1.00 TP53 (0.43) TP53MAPTPOLBHPGDUBE2M
Trifluoroacetic Acid SCHEMBL5632145 0.94 TP53 (0.43) TP53MAPTPOLBHPGDUBE2M
Trifluoroacetic Acid SCHEMBL5632156 0.94 TP53 (0.43) TP53MAPTPOLBHPGDUBE2M
SCHEMBL14462445 0.91 TP53 (0.42) TP53MAPTPOLBHPGDUBE2M
SCHEMBL5630339 0.89 HPGD (0.51) TP53MAPTPOLBHPGDLMNA
SCHEMBL5630336 0.89 HPGD (0.51) TP53MAPTPOLBHPGDLMNA
SCHEMBL15100448 0.88 POLB (0.43) TP53MAPTPOLBHPGDUBE2M
SCHEMBL4986029 0.88 LMNA (0.48) HPGDLMNAKMT2AALDH1A1EGFR
SCHEMBL4985998 0.88 LMNA (0.48) HPGDLMNAKMT2AALDH1A1EGFR
SCHEMBL14442451 0.86 TP53 (0.45) TP53MAPTPOLBHPGDUBE2M

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 7 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
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
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

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 TP53 1144/4885MAPT 2963/4885POLB 3697/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT TP53 1144/4885MAPT 2963/4885POLB 3697/4885

“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.