SCHEMBL22897152

SCHEMBL22897152

Cn1nnc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47
CYP19A1 P11511 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DHODH Q02127 1/20 0.40
SLC9A1 P19634 1/20 0.40
KEAP1 Q14145 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL12412330 0.97 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL14154662 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EGAAPOLBCYP19A1
SCHEMBL14711206 0.85 CA1 (0.53) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL12413878 0.81 MEN1 (0.52) ALDH1A1KDM4EPOLBCYP19A1MAPT
SCHEMBL20027816 0.80 CYP19A1 (0.68) ALDH1A1GAAPOLBCYP19A1MAPT
SCHEMBL4487634 0.77 KDM4E (0.72) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL13344636 0.76 KEAP1 (0.44) HTTMAPTCYP2C19SLC9A1KEAP1
SCHEMBL23294724 0.75 MDM2 (0.50) ALDH1A1POLBCA1CA2CA4
SCHEMBL30988460 0.74 GRM5 (0.59) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL822713 0.73 KEAP1 (0.45) ALDH1A1KDM4EGAAHTTMAPT

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885KDM4E 3495/4885GAA 616/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885KDM4E 3117/4885GAA 751/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885KDM4E 3495/4885GAA 616/4885

“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.