SCHEMBL3821090

SCHEMBL3821090

Cc1nc(C(=O)N2CCCCC2)oc1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 1/20 0.40
HPGD P15428 6/20 0.39
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
ADORA2A P29274 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 2/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3821087 0.78 HPGD (0.40) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL22629095 0.67 RAB9A (0.44) DPP4DPP8HPGDALDH1A1RAB9A
SCHEMBL19914390 0.66 KMT2A (0.46) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL15219434 0.64 CA12 (0.50) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14261043 0.64 HPGD (0.41) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL3589409 0.62 ALDH1A1 (0.61) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL13631410 0.62 HPGD (0.43) DPP4DPP8HPGDALDH1A1RAB9A
Hydrochloric Acid SCHEMBL17185351 0.61
SCHEMBL11919090 0.61 CA12 (0.47) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL30530620 0.61 RBP4 (0.59) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 DPP4 23/4885DPP8 72/4885HPGD 675/4885

“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.