SCHEMBL16792245

SCHEMBL16792245

O=C(CCCc1c[nH]c2ccccc12)NCCCP(=O)(O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
MTNR1A P48039 2/20 0.64
IDE P14735 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
AANAT Q16613 1/20 0.56
GFER P55789 1/20 0.56
TERT O14746 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL16792022 0.94 MEN1 (0.66) MEN1KMT2AMTNR1AHPGDRECQL
SCHEMBL18607543 0.87 MEN1 (0.77) MEN1KMT2AMTNR1AIDECYP1A2
SCHEMBL16792193 0.87 LMNA (0.57) MEN1KMT2AMTNR1AALDH1A1MAPT
SCHEMBL16792198 0.83 MEN1 (0.58) MEN1KMT2AMTNR1ACYP1A2CYP2D6
SCHEMBL5578012 0.83 MEN1 (0.83) MEN1KMT2AMTNR1AIDECYP1A2
SCHEMBL18607486 0.82 MEN1 (0.77) MEN1KMT2AMTNR1AIDECYP1A2
SCHEMBL7972523 0.82 MEN1 (0.81) MEN1KMT2AMTNR1AIDECYP1A2
SCHEMBL6646410 0.82 MTNR1A (0.88) MEN1KMT2AMTNR1AIDECYP1A2
Hydrochloric Acid SCHEMBL7960692 0.81 MEN1 (0.79) MEN1KMT2AMTNR1AIDECYP1A2
SCHEMBL7974250 0.80 MEN1 (0.77) MEN1KMT2AMTNR1AIDECYP1A2

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
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY MEN1 304/4885KMT2A 4161/4885MTNR1A 3430/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY MEN1 660/4885KMT2A 4620/4885MTNR1A 2496/4885

“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.