SCHEMBL20711246

SCHEMBL20711246

CCn1cc(OC(=O)C(C)C)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ ELANE P08246 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MME P08473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL20711244 0.80 KDM4E (0.37) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL29230987 0.77 KDM4E (0.35) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL25565724 0.76 ALDH1A1 (0.52) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28261017 0.75 KMT2A (0.39) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL20806026 0.71 — —
SCHEMBL16093587 0.67 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL20711253 0.66 RECQL (0.38) ELANEALDH1A1LMNAKMT2AMEN1
SCHEMBL23341749 0.65 NPC1 (0.45) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL25565777 0.65 ALDH1A1 (0.50) ALDH1A1GLA
SCHEMBL20445146 0.65 IDO1 (0.41) KDM4EKDM5CKDM4CKDM2AKDM3A

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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 — — US disclosed
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF Memorial Slooan-Kettering Cancer Center (US) 2019-02-07 — — 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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 KDM4E 4435/4885KDM5C 4007/4885KDM4C 4231/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 KDM4E 4435/4885KDM5C 4007/4885KDM4C 4231/4885

“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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