SCHEMBL6323327

SCHEMBL6323327

N#CCC(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
NCOA1 Q15788 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
MCL1 Q07820 1/20 0.54
CCR3 P51677 1/20 0.51
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
SOAT1 P35610 1/20 0.49
CTSC P53634 2/20 0.48
MME P08473 1/20 0.47

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
SCHEMBL3753174 0.84 RIPK1 (0.50) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL13051427 0.84 RIPK1 (0.50) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL6217606 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MCL1DPP4DPP8
SCHEMBL864058 0.81 USP9X (0.48) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL864059 0.81 USP9X (0.48) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL365234 0.80 MME (0.65) MCL1CTSLCTSBCTSSMME
SCHEMBL16889096 0.80 ALDH1A1 (0.71) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL6813188 0.80 ALDH1A1 (0.71) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL6318822 0.79 TSHR (0.56) ALDH1A1MCL1
Hydrochloric Acid SCHEMBL6813768 0.78 ALDH1A1 (0.69) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3

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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885HTT 2134/4885NCOA1 757/4885

“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.