SCHEMBL5633387

SCHEMBL5633387

COc1ccc(CN/C(=N\C#N)NCc2nonc2/C(=N/OC(=O)C(F)(F)F)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 1/20 0.38
IDO1 P14902 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.34
ACP1 P24666 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34

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 SCHEMBL5633383 0.90 MAPT (0.46) MAPTMEN1KMT2AALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL4981733 0.90 MAPT (0.46) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL14442703 0.89 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL5632016 0.88 SMN1; SMN2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2IDO1
SCHEMBL5631319 0.88 IDO1 (0.35) MEN1KMT2ANPC1SMN1; SMN2IDO1
SCHEMBL5632106 0.87 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2IDO1TP53
SCHEMBL5630928 0.85 SMN1; SMN2 (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5632797 0.85 IDO1 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4981747 0.84 IDO1 (0.42) MAPTMEN1KMT2AALDH1A1IDO1
SCHEMBL5632845 0.82 ALDH1A1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 2963/4885MEN1 1163/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT MAPT 2963/4885MEN1 1163/4885KMT2A 545/4885

“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.