SCHEMBL11982018

SCHEMBL11982018

C=C(C)c1cc(C)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.37
GAA P10253 4/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
GLS O94925 1/20 0.31
TAS2R8 Q9NYW2 1/20 0.31
NPC1 O15118 1/20 0.30
TNF P01375 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13982847 0.83 LMNA (0.40) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL334463 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL18007522 0.77 KDM4E (0.32) LMNAKDM4EGRNSORT1
SCHEMBL24988730 0.76 LMNA (0.43) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL27637077 0.76 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL24988223 0.75 LMNA (0.42) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL14794817 0.75 SMN1; SMN2 (0.34) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL286931 0.74 KDM4E (0.58) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL18029677 0.74 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL387324 0.72 SMN1; SMN2 (0.46) SMN1; SMN2LMNAGAAKDM4EALDH1A1

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
EP-2016067-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-08 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS SMN1; SMN2 4626/4885LMNA 3862/4885GAA 985/4885

“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.