SCHEMBL5632148

SCHEMBL5632148

O=C(OC1CCN(Cc2nonc2C(=NO)Nc2ccc(F)c(Cl)c2)CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.38
ACKR3 P25106 2/20 0.38
MALT1 Q9UDY8 3/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 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
Trifluoroacetic Acid SCHEMBL5632145 0.87 TP53 (0.43) TP53MAPTPOLBHPGDACKR3
Trifluoroacetic Acid SCHEMBL5632156 0.87 TP53 (0.43) TP53MAPTPOLBHPGDACKR3
SCHEMBL5632095 0.85 TP53 (0.43) TP53MAPTPOLBHPGDMALT1
SCHEMBL5632082 0.85 TP53 (0.43) TP53MAPTPOLBHPGDMALT1
Trifluoroacetic Acid SCHEMBL5632636 0.83 LMNA (0.43) TP53MAPTHPGDALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL5632623 0.83 LMNA (0.43) TP53MAPTHPGDALDH1A1KMT2A
SCHEMBL5630336 0.82 HPGD (0.51) TP53MAPTPOLBHPGDKMT2A
SCHEMBL5630339 0.82 HPGD (0.51) TP53MAPTPOLBHPGDKMT2A
Trifluoroacetic Acid SCHEMBL5631522 0.82 EGFR (0.40) TP53MAPTPOLBHPGD
Trifluoroacetic Acid SCHEMBL5631531 0.82 EGFR (0.40) TP53MAPTPOLBHPGD

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 5 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 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-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.