SCHEMBL30317154

SCHEMBL30317154

NC(=O)Cc1ccccc1NC1CCN(C(=O)Cc2ccc3ncccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.48
▸ CCR3 P51677 1/20 0.43
▸ ECE2 P0DPD6 1/20 0.42
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ SYK P43405 3/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ORAI1 Q96D31 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31285852 0.88 HDAC3 (0.60) HDAC3CCR3ECE2ITGB2ICAM1
SCHEMBL22605517 0.88 HDAC3 (0.60) HDAC3CCR3ECE2ITGB2ICAM1
SCHEMBL22605817 0.83 HDAC3 (0.52) HDAC3CCR3ECE2HSP90AA1CCNE1
SCHEMBL22587986 0.83 MAPK1 (0.48) HDAC3CCR3ECE2CCNE1CDK2
SCHEMBL31285878 0.83 MAPK1 (0.48) HDAC3CCR3ECE2CCNE1CDK2
SCHEMBL31285886 0.81 FNTA (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22588162 0.76 HDAC3 (0.45) HDAC3CCR3ECE2SYK
SCHEMBL5340760 0.73 HDAC3 (0.60) HDAC3HSP90AA1CCNE1CDK2CDK5
SCHEMBL31269838 0.73 HDAC3 (0.60) HDAC3HSP90AA1CCNE1CDK2CDK5
SCHEMBL28527229 0.71 SYK (0.41) CCR3ECE2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 HDAC3 43/4885CCR3 1931/4885ECE2 3682/4885

“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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