SCHEMBL6402409

SCHEMBL6402409

CN(O)Cc1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HTT P42858 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ USP2 O75604 1/20 0.48
▸ SLC6A9 P48067 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ PRMT1 Q99873 2/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ LMNA P02545 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
SCHEMBL6396582 0.83 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDKDM4EMAPT
SCHEMBL6400955 0.83 SOS1 (0.60) ALDH1A1HTTHPGDKDM4EMAPT
SCHEMBL2056342 0.77 ALDH1A1 (0.62) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL7977954 0.77 ALDH1A1 (0.73) ALDH1A1NPSR1HTTHPGDKDM4E
Hydrochloric Acid SCHEMBL11623836 0.76 PYCR1 (0.55) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL11621135 0.74 ALDH1A1 (0.65) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL6395900 0.74 ALDH1A1 (0.46) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL5963771 0.74 MEN1 (0.46) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL11452978 0.73 ALDH1A1 (0.60) ALDH1A1NPSR1HTTHPGDKDM4E
SCHEMBL5536394 0.73 ALDH1A1 (0.62) ALDH1A1NPSR1HTTHPGDKDM4E

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 1 patent. 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

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 4444/4885NPSR1 4399/4885HTT 2134/4885

“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.

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