SCHEMBL24296936

SCHEMBL24296936

Cc1c(C(C)C)ccc2c1nnn2I

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.30

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
SCHEMBL24296938 0.81 — —
SCHEMBL22084732 0.79 KDM4E (0.32) ALDH1A1
SCHEMBL24361843 0.67 KMT2A (0.30) —
SCHEMBL24296700 0.64 PARP15 (0.39) TRPA1LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL7899820 0.62 POLB (0.34) LMNA
SCHEMBL22084279 0.62 KCNMA1 (0.45) LMNAALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL12258194 0.61 LMNA (0.32) LMNAALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL19531654 0.61 BRD4 (0.34) —
SCHEMBL25481641 0.61 MAPT (0.36) ALDH1A1
SCHEMBL6127947 0.61 ALDH1A1 (0.31) ALDH1A1TSHRSMN1; SMN2NPSR1TDP1

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-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 — — US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 — — 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-11518763-B2 Macrocyclic compound and use thereof TFAM, KEAP1, FASTKD1 TRPA1 2286/4885LMNA 2953/4885CHRM1 2325/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B TRPA1 2261/4885LMNA 2632/4885CHRM1 2198/4885

“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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