SCHEMBL2153976

SCHEMBL2153976

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
LMNA P02545 4/20 0.70
CCR6 P51684 3/20 0.70
TDP1 Q9NUW8 2/20 0.70
TP53 P04637 2/20 0.70
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
ALOX12 P18054 2/20 0.68
CYP2D6 P10635 2/20 0.68
HTT P42858 3/20 0.67
GAA P10253 2/20 0.67
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
CYP3A4 P08684 2/20 0.64
NPSR1 Q6W5P4 2/20 0.57
PHGDH O43175 4/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRK1 P41145 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2153289 0.80 CCR6 (1.00) MAPTLMNACCR6TDP1TP53
SCHEMBL28322333 0.77 MAPT (0.69) MAPTLMNACCR6TDP1TP53
SCHEMBL15911569 0.76 MAPT (0.67) MAPTLMNACCR6TDP1TP53
SCHEMBL2153109 0.76 ALDH1A1 (1.00) MAPTLMNATDP1ALOX12HTT
SCHEMBL6505622 0.72 SLC6A9 (0.63) MAPTLMNACCR6TDP1TP53
SCHEMBL30301697 0.72 MAPT (0.61) MAPTLMNACCR6TDP1TP53
SCHEMBL3730926 0.72 MAPT (0.61) MAPTLMNACCR6TDP1TP53
SCHEMBL3485710 0.71 MAPT (0.73) MAPTLMNACYP2C9CYP2C19CYP2D6
SCHEMBL28322332 0.71 MAPT (0.65) MAPTLMNACCR6TDP1TP53
SCHEMBL1265183 0.70 MAPT (0.68) MAPTLMNACCR6TDP1TP53

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 MAPT 4328/4885LMNA 3422/4885CCR6 1153/4885

“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.