SCHEMBL19741721

SCHEMBL19741721

CC(C)C[C@H](NCc1cc(C(=O)O)ccn1)C(=O)NCc1ccccc1NC(=O)C1CC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ PSMB5 P28074 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ DGAT2 Q96PD7 3/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 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
SCHEMBL19741724 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1KMT2ASIRT2PSMB5
SCHEMBL19741660 0.83 KDM5A (0.39) SMN1; SMN2MAPK1SIRT2PSMB5HPGD
SCHEMBL19741664 0.83 KDM5A (0.39) SMN1; SMN2MAPK1SIRT2PSMB5HPGD
SCHEMBL19664325 0.71 KDM5B (0.44) SIRT2PSMB5KDM5BKDM4AKDM4B
SCHEMBL16291524 0.71 KDM5B (0.44) SIRT2PSMB5KDM5BKDM4AKDM4B
SCHEMBL17144516 0.70 ALDH1A1 (0.39) SMN1; SMN2MAPK1KMT2APSMB5ALDH1A1
SCHEMBL17144518 0.66 TRPV3 (0.50) ALDH1A1MAPTKDM5BKDM4AKDM4B
SCHEMBL17144520 0.66 TRPV3 (0.50) ALDH1A1MAPTKDM5BKDM4AKDM4B
SCHEMBL19741637 0.64 KDM4C (0.40) SMN1; SMN2KMT2AALDH1A1MEN1HPGD
SCHEMBL19741636 0.64 KDM4C (0.40) SMN1; SMN2KMT2AALDH1A1MEN1HPGD

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A SMN1; SMN2 2826/4885MAPK1 3575/4885KMT2A 44/4885

“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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