SCHEMBL6500780

SCHEMBL6500780

Cc1cc(CC(N)=O)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
AGBL2 Q5U5Z8 2/20 0.40
NTRK1 P04629 2/20 0.34
NNMT P40261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
MMP13 P45452 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33

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
SCHEMBL20772268 0.88 HTT (0.41) HTTAGBL2NTRK1NNMTKDM4E
SCHEMBL6504147 0.82 UHRF1 (0.47) HTTAGBL2NNMTGABRPGABRD
SCHEMBL16318634 0.78 KDM4E (0.43) AGBL2NNMTKDM4EASPHKDM8
SCHEMBL20772412 0.77 NTRK1 (0.33) HTTNTRK1KDM4EASPHKDM8
SCHEMBL17382044 0.77 ALDH1A1 (0.35) AGBL2MMP13GRIN2B
SCHEMBL24760166 0.75 SMN1; SMN2 (0.33) AGBL2GRIN2B
SCHEMBL10272611 0.75 NOS3 (0.35) AGBL2GRIN2B
SCHEMBL30595305 0.72 HTT (0.46) HTT
SCHEMBL15006455 0.72 HTT (0.46) HTT
SCHEMBL18930013 0.72 NOS2 (0.36) KDM4EGABRPGABRDGABRA1GABRB1

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 HTT 3729/4885AGBL2 3642/4885NTRK1 4754/4885

“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.