SCHEMBL5748307

SCHEMBL5748307

Cc1ccccc1[C@H]1NC(=O)CC[C@@H]1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.71
GAA P10253 1/20 0.71
ATM Q13315 1/20 0.67
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HTR2C P28335 2/20 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
SCHEMBL5748304 1.00 RAB9A (0.71) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL5748309 1.00 RAB9A (0.71) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL9024919 0.83 GAA (1.00) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL8901705 0.80 RAB9A (0.67) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL6098746 0.80 SMN1; SMN2 (0.74) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL7898746 0.80 SMN1; SMN2 (0.74) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL7898749 0.80 SMN1; SMN2 (0.74) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL9025236 0.77 ALDH1A1 (1.00) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL4919841 0.77 ATM (0.69) RAB9AGAAATMALDH1A1SMN1; SMN2
SCHEMBL4919848 0.77 ATM (0.69) RAB9AGAAATMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 RAB9A 4047/4885GAA 2068/4885ATM 4396/4885

“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.