SCHEMBL2024445

SCHEMBL2024445

O=C(Nc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.84
TSHR P16473 4/20 0.84
HTT P42858 3/20 0.84
ALDH1A1 P00352 2/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
SMO Q99835 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.58
KCNH2 Q12809 1/20 0.58
CACNA1C Q13936 1/20 0.58

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
SCHEMBL2024455 0.89 TSHR (0.75) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2027007 0.88 LMNA (0.66) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2024913 0.86 TSHR (0.73) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2025696 0.85 MEN1 (0.74) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2030093 0.85 TSHR (0.82) LMNATSHRHTTALDH1A1MEN1
SCHEMBL14319750 0.84 LMNA (0.68) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2030060 0.83 TSHR (0.72) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2026246 0.82 TSHR (0.80) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2025611 0.81 TSHR (0.72) LMNATSHRHTTALDH1A1MEN1
SCHEMBL2025045 0.80 TSHR (0.66) LMNATSHRHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US claimed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
WO-2008003861-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2008-01-10 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 (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-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP LMNA 1439/4885TSHR 2305/4885HTT 3580/4885

“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.