SCHEMBL6316567

SCHEMBL6316567

COc1ccc(CNC(=O)c2c(-c3ccc(OC)nc3)noc2N)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TP53 P04637 5/20 0.44
MAPT P10636 3/20 0.44
MAOB P27338 1/20 0.44
ROCK2 O75116 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL6323905 0.88 NPC1 (0.52) ALDH1A1TP53MAPTLMNAHPGD
SCHEMBL6316520 0.86 MAPT (0.52) ALDH1A1TSHRTP53MAPTLMNA
SCHEMBL6316658 0.85 TAS1R3 (0.53) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL6316978 0.85 TAS1R3 (0.52) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL6321897 0.83 SMN1; SMN2 (0.47) ALDH1A1LMNAPKMHPGDHTT
SCHEMBL6316160 0.83 MAOB (0.46) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL6324368 0.82 MAPT (0.44) ALDH1A1TSHRMAPTROCK2LMNA
SCHEMBL6317699 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMAPTLMNA
SCHEMBL6317197 0.81 LMNA (0.44) ALDH1A1TSHRTP53MAPTROCK2
SCHEMBL6315275 0.81 NPC1 (0.48) ALDH1A1TSHRMAPTROCK2LMNA

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 ALDH1A1 4444/4885TSHR 3971/4885NPSR1 4399/4885

“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.