SCHEMBL30099332

SCHEMBL30099332

Cc1c(-c2cccc(-c3nnc(CCO)nn3)c2)c(=O)oc2cc(N3CCC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EP300 Q09472 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL30099347 0.80 ERAP1 (0.46) ERAP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL24809586 0.78 ERAP1 (0.45) ERAP1PDK1PDK2NPC1KDM4E
SCHEMBL24809548 0.70 ERAP1 (0.39) ERAP1PDK1PDK2NPC1KDM4E
SCHEMBL30708198 0.70 CCR4 (0.47) ERAP1ALDH1A1KMT2A
SCHEMBL27262406 0.70 CCR4 (0.47) ERAP1ALDH1A1KMT2A
SCHEMBL17716532 0.69 ERAP1 (0.48) ERAP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL18512403 0.67 NPC1 (0.50) ERAP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL17716530 0.67 ERAP1 (0.47) ERAP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL17145056 0.66 KDM4E (0.54) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL27261015 0.65 CCR4 (0.49) ERAP1NPC1EP300

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-20240293556-A1 CARBOHYDRATE DERIVATIVES AND KITS FOR CELL SURFACE LABELING INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2024-09-05 — — US disclosed
EP-4359418-A1 CARBOHYDRATE DERIVATIVES AND KITS FOR CELL SURFACE LABELING Institute Of Organic Chemistry And Biochemistry As CR, V.V.I. (CZ) 2024-05-01 — — EP disclosed
WO-2022268239-A1 CARBOHYDRATE DERIVATIVES AND KITS FOR CELL SURFACE LABELING INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) 2022-12-29 — — WO 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-20240293556-A1 CARBOHYDRATE DERIVATIVES AND KITS FOR CELL SURFACE LABELING FUT7, EPCAM, FUT6 ERAP1 1300/4885PDK1 199/4885PDK2 267/4885

“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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