SCHEMBL2024873

SCHEMBL2024873

CC1CCC(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)CC1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
GRM5 P41594 1/20 0.54
HSD17B10 Q99714 1/20 0.53
SMO Q99835 1/20 0.53
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2030742 0.95 TSHR (0.67) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2026313 0.91 TSHR (0.64) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2029168 0.90 SMO (0.65) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2026830 0.86 TSHR (0.68) TSHRLMNAHTTRAB9AMEN1
SCHEMBL14300682 0.85 TSHR (0.55) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2025611 0.85 TSHR (0.72) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2029400 0.83 TSHR (0.64) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2031286 0.83 RAB9A (0.65) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2026741 0.83 TSHR (0.64) TSHRLMNAHTTRAB9AMEN1
SCHEMBL2028080 0.83 TSHR (0.67) TSHRLMNAHTTRAB9AMEN1

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 7 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
EP-2044064-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2009-04-08 EP claimed
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 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-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
EP-2044064-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2009-04-08 EP 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 TSHR 2305/4885LMNA 1439/4885HTT 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.