SCHEMBL6699359

SCHEMBL6699359

CC(C)(C)[N+](=O)[O-].Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
RAB9A P51151 9/20 0.63
MAPT P10636 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KDM4E B2RXH2 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
CYP3A4 P08684 1/20 0.63
LTA4H P09960 3/20 0.51
POLB P06746 1/20 0.46
AR P10275 1/20 0.46
GFER P55789 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL44869 0.82 ALDH1A1 (1.00) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Bromide SCHEMBL7128948 0.80 ALDH1A1 (0.96) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Bromide SCHEMBL5325472 0.78 ALDH1A1 (1.00) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5450269 0.78 ALDH1A1 (0.92) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2907964 0.78 ALDH1A1 (1.00) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11505502 0.76 ALDH1A1 (0.79) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1068291 0.74 MAPT (0.97) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Bromide SCHEMBL8359253 0.73 MAPT (1.00) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL426369 0.73 MAPT (0.66) ALDH1A1RAB9AMAPTKDM4EMEN1
SCHEMBL8124240 0.73 MAPT (0.66) ALDH1A1RAB9AMAPTKDM4EMEN1

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 ALDH1A1 925/4885RAB9A 2032/4885MAPT 3376/4885

“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.