SCHEMBL3828142

SCHEMBL3828142

NCc1nnc(-c2ccccc2OC(=O)C(F)(F)F)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
RAB9A P51151 5/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
PTK2 Q05397 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3822807 0.84 KMT2A (0.49) NOTUMRAB9ANPC1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3828137 0.78 HPGD (0.53) NOTUMRAB9APOLBNPC1KMT2A
Trifluoroacetic Acid SCHEMBL3821103 0.77 NPC1 (0.56) NOTUMRAB9ANPC1KMT2AMEN1
SCHEMBL3825288 0.77 NOTUM (0.49) NOTUMRAB9APOLBNPC1KMT2A
SCHEMBL3828361 0.76 PTK2 (0.57) NOTUMRAB9ANPC1KMT2AMEN1
SCHEMBL4925969 0.74 NPC1 (0.54) RAB9APOLBNPC1HPGDMAPK1
SCHEMBL3826961 0.71 HPGD (0.61) NOTUMRAB9APOLBNPC1KMT2A
SCHEMBL18901291 0.71 NOTUM (0.59) NOTUMRAB9ANPC1HPGDALDH1A1
SCHEMBL28404237 0.70 ELANE (0.47) KMT2AHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL9541871 0.70 FABP3 (0.49) MAPK1ALDH1A1SMN1; SMN2KDM4ELMNA

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
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 NOTUM 298/4885RAB9A 4343/4885POLB 2667/4885

“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.