SCHEMBL4725112

SCHEMBL4725112

N#Cc1cccc(NC(=NO)c2ccco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 3/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 3/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 1/20 0.46
HTT P42858 2/20 0.42
GRM4 Q14833 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL4725111 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19CYP3A4USP2MAPT
SCHEMBL14259994 0.81 ALDH1A1 (0.53) ALDH1A1CYP2C19CYP3A4USP2MAPT
SCHEMBL4727828 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4727832 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4725732 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4725734 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4729477 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4729476 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4725115 0.73 IDO1 (0.43) ALDH1A1CYP2C19CYP3A4USP2MAPT
SCHEMBL4980793 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 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 (1 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 2238/4885CYP2C19 336/4885CYP3A4 268/4885

“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.