SCHEMBL3820591

SCHEMBL3820591

O=C(Nc1cc(C(=O)n2ccnc2)n[nH]1)c1cc(F)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
STING1 Q86WV6 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PYGL P06737 1/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 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
SCHEMBL3822963 0.79 PYGL (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9187076 0.78 HPGD (0.49) NPC1RAB9ASTING1MAPTSMN1; SMN2
SCHEMBL14587714 0.78 HPGD (0.59) NPC1RAB9AMAPTLMNAHTT
SCHEMBL13933303 0.78 MAPT (0.40) NPC1RAB9ASTING1KMT2AMEN1
SCHEMBL14587716 0.76 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5010442 0.76 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5010816 0.75 RAB9A (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5013595 0.74 HTT (0.43) NPC1RAB9AKMT2AMEN1MAPT
Imidazole SCHEMBL3820589 0.74 PYGL (0.42) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14587717 0.74 SMN1; SMN2 (0.46) NPC1RAB9AMAPTLMNAHTT

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 8 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 disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (2 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 NPC1 2552/4885RAB9A 4343/4885STING1 4362/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NPC1 2838/4885RAB9A 2748/4885STING1 4745/4885

“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.