SCHEMBL23200072

SCHEMBL23200072

Cc1ccc(CN(C(=O)Nc2nc3ccccc3s2)C2CCCC2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.59
▸ ADORA2A P29274 1/20 0.59
▸ NPC1 O15118 9/20 0.49
▸ RAB9A P51151 9/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ GAA P10253 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ DYRK1A Q13627 1/20 0.45
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ MAPT P10636 2/20 0.43

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
SCHEMBL23200021 0.81 LMNA (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23200048 0.79 ALDH1A1 (0.61) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL23200007 0.79 ALDH1A1 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23199934 0.78 LMNA (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23200025 0.78 UBE2M (0.60) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL23699971 0.76 LMNA (0.44) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL23199936 0.76 UBE2M (0.54) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL23200224 0.75 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL23200022 0.74 DCUN1D1 (0.61) KDM4ELMNAALDH1A1GAATP53
SCHEMBL23200222 0.74 LMNA (0.51) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 — — EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 — — 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 (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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ADORA1 538/4885ADORA2A 401/4885NPC1 3173/4885

“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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