SCHEMBL3556396

SCHEMBL3556396

O=C(Nc1cc(C2C[CH]C2)n[nH]1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA1 P30542 3/20 0.41
ABL1 P00519 1/20 0.40
TSHR P16473 2/20 0.40
PTPN1 P18031 2/20 0.40
HPGD P15428 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
FOXO1 Q12778 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3257632 1.00 ALOX15 (0.46) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3256189 0.99 MEN1 (0.47) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3568622 0.87 HDAC1 (0.42) ABL1TSHRHPGDCCNA2CDK2
SCHEMBL6391272 0.84 ALOX15 (0.44) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL6391267 0.83 HTT (0.43) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL6391269 0.83 HTT (0.43) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL5867668 0.83 ABL1 (0.43) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3563449 0.79 SMN1; SMN2 (0.40) ALOX15HTTSMN1; SMN2MEN1KMT2A
SCHEMBL6385219 0.77 KCNK3 (0.49) ADORA1HPGDADORA2AADORA3LMNA
SCHEMBL6385224 0.77 KCNK3 (0.49) ADORA1HPGDADORA2AADORA3LMNA

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP ALOX15 3189/4885HTT 2615/4885SMN1; SMN2 3262/4885

“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.