SCHEMBL23937997

SCHEMBL23937997

COc1ccc2c(N)c(C)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.40
IKBKB O14920 1/20 0.40
LIMK1 P53667 1/20 0.40
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MCL1 Q07820 1/20 0.37
TLR9 Q9NR96 1/20 0.37
NNMT P40261 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL20731980 0.84 USP28 (0.39) KDM4EALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL20731005 0.78 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2KMT2AIKBKB
SCHEMBL24729646 0.78 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AIKBKB
SCHEMBL20722419 0.76 LIMK1 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL30968434 0.76 LIMK1 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL7844211 0.75 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL30968442 0.75 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL23938107 0.75 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2KMT2AIKBKB
SCHEMBL23937998 0.70 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2ACYP1A2USP28
SCHEMBL19737518 0.69 MAPT (0.56) KDM4EALDH1A1SMN1; SMN2KMT2ACYP1A2

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 KDM4E 403/4885ALDH1A1 2167/4885SMN1; SMN2 2918/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 KDM4E 403/4885ALDH1A1 2167/4885SMN1; SMN2 2918/4885

“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.