SCHEMBL20695310

SCHEMBL20695310

Cc1c(C(=O)N2CC3(CCC(=O)N3)C2)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ RECQL P46063 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL20708931 0.87 NPC1 (0.58) ALDH1A1RECQLHTTTSHRHPGD
SCHEMBL20695398 0.85 MCL1 (0.50) ALDH1A1RECQLHTTTSHRHPGD
SCHEMBL20695422 0.84 MCL1 (0.48) ALDH1A1RECQLHTTTSHRHPGD
SCHEMBL20695121 0.84 CYP2C19 (0.42) ALDH1A1RECQLHTTTSHRHPGD
SCHEMBL20695270 0.81 MCL1 (0.41) ALDH1A1RECQLHTTTSHRHPGD
SCHEMBL20695371 0.81 NPC1 (0.42) ALDH1A1HTTTSHRHPGDKMT2A
SCHEMBL20695287 0.75 PRNP (0.41) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL20695455 0.74 MAPT (0.55) ALDH1A1HPGDKMT2AL3MBTL1MEN1
SCHEMBL20695504 0.70 HTT (0.54) ALDH1A1RECQLHTTHPGDHSD17B10
SCHEMBL20695210 0.69 MAPK1 (0.50) ALDH1A1TSHRHPGDKMT2AL3MBTL1

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-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE ALDH1A1 1045/4885RECQL 1556/4885HTT 2/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE ALDH1A1 1045/4885RECQL 1556/4885HTT 2/4885

“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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