SCHEMBL22897123

SCHEMBL22897123

NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL22897217 0.93 IKBKE (0.40) CAPN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22896201 0.89 ALDH1A1 (0.40) CAPN1KMT2AALDH1A1TSHRMAPT
SCHEMBL22896496 0.88 CAPN1 (0.40) CAPN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22896470 0.87 CAPN1 (0.42) CAPN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL20028431 0.85 CAPN1 (0.53) CAPN1
SCHEMBL21854063 0.85 CAPN1 (0.53) CAPN1
SCHEMBL22896352 0.84 CAPN1 (0.37) CAPN1KMT2AALDH1A1TSHR
SCHEMBL22896803 0.82 CAPN1 (0.46) CAPN1ALDH1A1TSHR
SCHEMBL22897120 0.82 CAPN1 (0.44) CAPN1
SCHEMBL22897219 0.82 CAPN1 (0.42) CAPN1NPC1RAB9ASMN1; SMN2ALDH1A1

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 CAPN1 3/4885NPC1 2197/4885RAB9A 2461/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885NPC1 1945/4885RAB9A 2055/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885NPC1 2197/4885RAB9A 2461/4885

“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.

Send feedback