SCHEMBL4284833

SCHEMBL4284833

O=C(O)c1ccc2c(c1)OCCN2CCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NAAA Q02083 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
TEAD3 Q99594 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NR4A1 P22736 1/20 0.40
HTT P42858 1/20 0.40
GRM5 P41594 2/20 0.39
PKM P14618 2/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL4283497 0.80 ALDH1A1 (0.43) TSHRKMT2AMEN1GAARAB9A
SCHEMBL8446716 0.77 NPC1 (0.51) KMT2AMEN1GAARAB9ANPC1
SCHEMBL4278028 0.76 PTGER3 (0.45) TSHRKMT2AMEN1GAARAB9A
SCHEMBL19859269 0.75 TSHR (0.42) TSHRKMT2AMEN1GAARAB9A
SCHEMBL3019770 0.74 PKM (0.49) KMT2AMEN1GAANAAATEAD3
SCHEMBL23769113 0.73 ROCK2 (0.50) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL31490290 0.73 ROCK2 (0.50) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28624617 0.72 RORC (0.44) KMT2ARAB9ANPC1
SCHEMBL2064097 0.71 PTGER3 (0.50) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL29650191 0.71 PTGER3 (0.50) KMT2AMEN1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 TSHR 1583/4885KMT2A 838/4885MEN1 3010/4885

“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.