SCHEMBL2026313

SCHEMBL2026313

O=C(CC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 3/20 0.64
SMO Q99835 1/20 0.63
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
GRM5 P41594 1/20 0.59
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
NPC1 O15118 1/20 0.57

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
SCHEMBL2029168 0.99 SMO (0.65) TSHRLMNAHTTSMORAB9A
SCHEMBL2030742 0.96 TSHR (0.67) TSHRLMNAHTTSMORAB9A
SCHEMBL2024873 0.91 TSHR (0.61) TSHRLMNAHTTSMORAB9A
SCHEMBL2028693 0.90 RAB9A (0.65) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL2029871 0.89 RAB9A (0.64) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL2025611 0.87 TSHR (0.72) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL2026830 0.86 TSHR (0.68) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL14300682 0.86 TSHR (0.55) TSHRLMNAHTTSMORAB9A
SCHEMBL2028080 0.85 TSHR (0.67) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL2025045 0.84 TSHR (0.66) TSHRLMNAHTTRAB9AALDH1A1

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-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
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

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.