SCHEMBL6317293

SCHEMBL6317293

Nc1onc(-c2ccco2)c1C(=O)NC1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.59
ALDH1A1 P00352 7/20 0.54
TSHR P16473 2/20 0.53
TAS1R3 Q7RTX0 6/20 0.52
TAS1R1 Q7RTX1 6/20 0.52
TAS1R2 Q8TE23 6/20 0.52
HSD17B10 Q99714 2/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.47
KMT2A Q03164 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
SCHEMBL6319067 0.94 RECQL (0.51) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6317860 0.85 ALDH1A1 (0.60) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6322801 0.85 TAS1R3 (0.55) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6316864 0.81 RECQL (0.53) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6315528 0.81 TAS1R3 (0.60) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6315994 0.81 ALDH1A1 (0.60) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6318358 0.80 TAS1R3 (0.54) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6317746 0.80 RECQL (0.54) RECQLALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6324204 0.80 NPC1 (0.59) RECQLALDH1A1TSHRHSD17B10LMNA
SCHEMBL6323643 0.80 NPC1 (0.56) RECQLALDH1A1TSHRHSD17B10LMNA

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US 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 RECQL 2512/4885ALDH1A1 4444/4885TSHR 3971/4885

“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.