SCHEMBL18156044

SCHEMBL18156044

O=C(NI)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CTRB1 P17538 2/20 0.53
MGLL Q99685 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL2295789 0.85 CA12 (0.66) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL24203434 0.85 ALDH1A1 (0.53) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL234454 0.83 LMNA (0.62) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL11161020 0.82 LMNA (0.61) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL1950181 0.82 LMNA (0.61) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL9030320 0.80 LMNA (0.59) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL550351 0.80 NPC1 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL645203 0.80 LMNA (0.59) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL11651843 0.80 CA12 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL8775653 0.80 LMNA (0.59) LMNASMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
EP-3255990-B1 PESTICIDAL MIXTURE COMPRISING A PYRAZOLE COMPOUND, AN INSECTICIDE AND A FUNGICIDE BASF SE (DE) 2020-06-24 EP disclosed
US-20190322675-A1 Pesticidally Active Heterocyclic Derivatives with Sulfer Containing Substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-10-24 US disclosed
EP-2556066-B1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-10-19 EP 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-20190322675-A1 Pesticidally Active Heterocyclic Derivatives with Sulfer Containing Substituents DDT, ACHE, SQOR LMNA 3830/4885SMN1; SMN2 189/4885CA12 3983/4885

“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.