SCHEMBL19860016

SCHEMBL19860016

CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2CC(=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.69
MEN1 O00255 8/20 0.69
RAB9A P51151 7/20 0.69
POLB P06746 6/20 0.69
HTT P42858 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 3/20 0.69
BLM P54132 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
ALDH1A1 P00352 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
PPARG P37231 2/20 0.69
NCOA2 Q15596 2/20 0.69
NCOA1 Q15788 2/20 0.69
ACHE P22303 6/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 4/20 0.59
BCHE P06276 3/20 0.59
MAPK1 P28482 3/20 0.59
THRB P10828 2/20 0.59

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
SCHEMBL18349256 0.89 KMT2A (0.70) KMT2AMEN1RAB9APOLBHTT
SCHEMBL18349205 0.89 KMT2A (0.70) KMT2AMEN1RAB9APOLBHTT
SCHEMBL31018271 0.83 KMT2A (0.97) KMT2AMEN1RAB9APOLBHTT
SCHEMBL5676060 0.83 KMT2A (0.97) KMT2AMEN1RAB9APOLBHTT
SCHEMBL5676065 0.83 KMT2A (0.97) KMT2AMEN1RAB9APOLBHTT
SCHEMBL18349213 0.82 KMT2A (0.73) KMT2AMEN1RAB9APOLBHTT
Hydrochloric Acid SCHEMBL11551422 0.82 KMT2A (0.95) KMT2AMEN1RAB9APOLBHTT
Iodide SCHEMBL124471 0.82 KMT2A (1.00) KMT2AMEN1RAB9APOLBHTT
Iodide SCHEMBL29473159 0.82 KMT2A (1.00) KMT2AMEN1RAB9APOLBHTT
Iodide SCHEMBL124472 0.82 KMT2A (1.00) KMT2AMEN1RAB9APOLBHTT

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
US-20180170953-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2018-06-21 US disclosed
US-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 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-20180170953-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 KMT2A 2199/4885MEN1 1887/4885RAB9A 3409/4885

“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.