SCHEMBL22945804

SCHEMBL22945804

CC(=O)c1ccnc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4C Q9H3R0 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM6B O15054 2/20 0.39
▸ KDM5C P41229 2/20 0.39
▸ KDM2A Q9Y2K7 2/20 0.39
▸ KDM3A Q9Y4C1 2/20 0.39
▸ TET3 O43151 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ BBOX1 O75936 1/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ TET2 Q6N021 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ KDM7A Q6ZMT4 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
SCHEMBL34463116 0.81 KDM4C (0.61) KDM4CKDM4EMAPTKDM5AKDM5B
SCHEMBL2353747 0.81 KDM4C (0.61) KDM4CKDM4EMAPTKDM5AKDM5B
SCHEMBL5700429 0.79 HTT (0.33) MEN1KMT2AKDM4CKDM4EMAPT
SCHEMBL19151580 0.79 KDM5C (0.47) KDM4CKDM4EMAPTKDM5AKDM5B
SCHEMBL19837384 0.79 KDM4C (0.39) KDM4CKDM4EMAPTKDM5AKDM5B
SCHEMBL3952413 0.79 KDM4E (0.60) KDM4CKDM4EMAPTKDM5AKDM5B
SCHEMBL2379693 0.79 PLK1 (0.49) KDM4CKDM5AKDM5B
SCHEMBL12934615 0.78 KDM5C (0.55) MEN1KMT2AKDM4CKDM4EKDM5A
SCHEMBL13165469 0.77 ALDH1A1 (0.55) MEN1KMT2AKDM4CKDM4EMAPT
SCHEMBL16186718 0.77 MEN1 (0.43) MEN1KMT2AKDM4CKDM4EMAPT

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-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 — — US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 — — WO disclosed
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 — — 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-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 MEN1 2600/4885KMT2A 3070/4885KDM4C 1735/4885

“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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