SCHEMBL2153109

SCHEMBL2153109

O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
MAPT P10636 15/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
HTT P42858 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 2/20 0.57
ALOX12 P18054 1/20 0.55

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
SCHEMBL2153257 0.87 ALDH1A1 (0.77) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2153930 0.82 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13836233 0.78 ALDH1A1 (0.80) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13836489 0.78 ALDH1A1 (0.80) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2153964 0.77 ALDH1A1 (0.78) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2153853 0.77 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2153976 0.76 MAPT (0.70) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL15502403 0.75 MAPT (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10680090 0.75 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28398268 0.74 MAPT (1.00) ALDH1A1MAPTLMNAMEN1KMT2A

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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 ALDH1A1 797/4885MAPT 4328/4885LMNA 3422/4885

“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.