SCHEMBL3822684

SCHEMBL3822684

Cc1onc(-c2ccccc2F)c1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
GPBAR1 Q8TDU6 5/20 0.59
TSHR P16473 1/20 0.57
EPAS1 Q99814 1/20 0.55
ALDH1A1 P00352 2/20 0.49
PTGS1 P23219 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL27936741 0.88 GPBAR1 (0.62) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL2470614 0.87 GPBAR1 (0.60) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL3826089 0.87 GPBAR1 (0.60) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL30395326 0.87 GPBAR1 (0.60) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL5773636 0.83 GPBAR1 (0.57) HSD17B10MEN1KMT2AGPBAR1TSHR
SCHEMBL11408570 0.83 EPAS1 (0.61) HSD17B10MEN1KMT2AGPBAR1EPAS1
SCHEMBL903109 0.82 HSD17B10 (1.00) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL19033 0.82 HSD17B10 (0.65) HSD17B10MEN1GAAKMT2AGPBAR1
SCHEMBL2473847 0.82 GPBAR1 (0.56) HSD17B10GPBAR1TSHREPAS1ALDH1A1
SCHEMBL2924198 0.81 GPBAR1 (0.58) GAAGPBAR1TSHREPAS1ALDH1A1

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 HSD17B10 327/4885MEN1 3728/4885GAA 81/4885

“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.