SCHEMBL1715426

SCHEMBL1715426

C1=C(CNOCc2ccccc2)OCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.44
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAOB P27338 2/20 0.35
TSHR P16473 2/20 0.34
TRPV6 Q9H1D0 1/20 0.33
BCHE P06276 1/20 0.33
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MAOA P21397 1/20 0.32
AGXT P21549 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL7703948 0.77 MEN1 (0.45) BCHEMEN1KMT2ATP53MAPT
SCHEMBL206646 0.73 HRAS (0.65) HRASNPC1RAB9ATSHRBCHE
SCHEMBL182272 0.72 CALM1 (0.44) NPC1RAB9AMAOBTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL6967279 0.72 HRAS (0.62) HRASNPC1RAB9ATSHRBCHE
SCHEMBL10776729 0.72 HRAS (0.68) HRASNPC1RAB9ATSHRBCHE
SCHEMBL218277 0.71 MAOA (0.39) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL10692846 0.67 HRAS (0.49) HRASNPC1RAB9ATSHRKMT2A
SCHEMBL28354630 0.67 HRAS (0.49) HRASNPC1RAB9AMAOBTSHR
SCHEMBL10802765 0.65 HRAS (0.58) HRASNPC1RAB9ABCHESMN1; SMN2
SCHEMBL333955 0.65 HSD17B10 (0.39) RAB9ATSHRIDO1MEN1KMT2A

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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 HRAS 373/4885NPC1 2834/4885RAB9A 152/4885

“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.