SCHEMBL4145907

SCHEMBL4145907

CN(C(=O)CN)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
PKM P14618 1/20 0.43
NPBWR1 P48145 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PABPC1 P11940 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
BACE1 P56817 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
Hydrochloric Acid SCHEMBL19410087 0.96 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL8295540 0.96 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL3562816 0.89
SCHEMBL3364038 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL7129642 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL10723835 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL14902207 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL6608940 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL5143783 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL5143781 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ALDH1A1 2731/4885KMT2A 810/4885MEN1 4415/4885

“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.