SCHEMBL2023091

SCHEMBL2023091

O=C(O)N1CCC(c2nc(C3CC3)no2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
HSD11B1 P28845 1/20 0.41
SPR P35270 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL18711263 0.86 SMO (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18702095 0.82 HSD11B1 (0.41) HSD11B1SPRLMNATSHREPHX2
Oxalic Acid SCHEMBL9702943 0.82 USP7 (0.49) HSD11B1SPRSMN1; SMN2CPT1ACNR1
Oxalic Acid SCHEMBL9702934 0.82 USP7 (0.49) HSD11B1SPRSMN1; SMN2CPT1ACNR1
SCHEMBL5634920 0.81 EPHX2 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12506046 0.79 MAPT (0.46) SMN1; SMN2
SCHEMBL9933425 0.79 HCRTR1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1118416 0.79 LDHA (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1834764 0.79 SMYD3 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9933427 0.79 HCRTR1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 3 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-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 TUBB4A 3522/4885TUBB 3353/4885TUBA3C 4055/4885

“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.