SCHEMBL2028693

SCHEMBL2028693

O=C(CCC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
TSHR P16473 3/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
GRM5 P41594 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL2029871 0.99 RAB9A (0.64) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2026313 0.90 TSHR (0.64) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2029168 0.89 SMO (0.65) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2031845 0.88
SCHEMBL2025045 0.87 TSHR (0.66) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2030742 0.86 TSHR (0.67) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2025611 0.86 TSHR (0.72) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2028788 0.85 TSHR (0.63) RAB9ATSHRLMNAHTTMEN1
SCHEMBL2026830 0.85 TSHR (0.68) RAB9ATSHRLMNAHTTMEN1
SCHEMBL14894791 0.85

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-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US claimed
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 RAB9A 2904/4885TSHR 2305/4885LMNA 1439/4885

“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.