SCHEMBL19326941

SCHEMBL19326941

Cc1cccc2c1CCC(=O)N2I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ AADAT Q8N5Z0 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL424738 0.80 NOTUM (0.47) NOTUMAADATMAPTKMT2AMEN1
SCHEMBL15241810 0.79 NOTUM (0.46) NOTUMAADATMAPTKMT2AMEN1
SCHEMBL23067856 0.72 NOTUM (0.50) NOTUMAADATMAPTKMT2AMEN1
SCHEMBL19964476 0.72 NOTUM (0.54) NOTUMAADATCNR2HTR2CHTR2B
SCHEMBL14867320 0.71 NOTUM (0.46) NOTUMAADATMAPTKMT2AMEN1
SCHEMBL24316034 0.70 NOTUM (0.49) NOTUMAADATKMT2AMEN1CNR2
SCHEMBL4102464 0.70 SIGMAR1 (0.43) KMT2AMEN1
SCHEMBL1764174 0.69 SIGMAR1 (0.43) —
SCHEMBL20348540 0.69 NOTUM (0.38) NOTUMAADATMAPTTHRB
SCHEMBL7291352 0.69 HTR2C (0.48) NOTUMPARP1PARP10PARP11HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 — — US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 — — 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 (2 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-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD NOTUM 1610/4885AADAT 709/4885MAPT 1813/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NOTUM 1610/4885AADAT 709/4885MAPT 1813/4885

“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.

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