SCHEMBL20028090

SCHEMBL20028090

Cn1cnc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.50
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APOBEC3A P31941 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4C Q9H3R0 7/20 0.42
KDM2B Q8NHM5 1/20 0.42
PTGS2 P35354 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LMNA P02545 1/20 0.41
KDM5A P29375 4/20 0.41
KDM5B Q9UGL1 4/20 0.41
KDM4A O75164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL20028096 0.80 CYP19A1 (0.54) ALDH1A1MAPTGAATSHRCYP1A2
SCHEMBL3492608 0.74 MEN1 (0.51) ALDH1A1KDM4ETSHRLMNAKDM5A
SCHEMBL5794357 0.74 PKM (0.52) ALDH1A1PTGS2GAAPKMTSHR
SCHEMBL8235626 0.74 MEN1 (0.51) ALDH1A1KDM4ETSHRLMNAKDM5A
SCHEMBL1009513 0.73 NSD3 (0.83) NSD3KDM4CKDM2BPTGS2TSHR
SCHEMBL12926032 0.73 NSD3 (0.56) NSD3MAPTKDM4CKDM2BTSHR
SCHEMBL29874438 0.72 NSD3 (0.80) NSD3KDM4CKDM2BPTGS2TSHR
SCHEMBL27216970 0.72 NSD3 (0.54) NSD3PTGS2TSHRCYP1A2CA1
SCHEMBL18721829 0.72 NSD3 (0.54) NSD3PTGS2TSHRCYP1A2CYP2C19
SCHEMBL17928542 0.72 NSD3 (0.54) NSD3ALDH1A1MAPTLMNACYP1A2

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NSD3 3321/4885ALDH1A1 4193/4885MAPT 562/4885

“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.