SCHEMBL29889010

SCHEMBL29889010

O=C(NCCN1CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.49
KAT2B Q92831 1/20 0.47
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
CYP3A4 P08684 1/20 0.45
TGM2 P21980 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7159219 0.86 LMNA (0.63) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL6044214 0.85 MEN1 (0.57) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL30899745 0.84 MEN1 (0.58) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL6827343 0.83 LMNA (0.53) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL20718021 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL6829347 0.82 LMNA (0.52) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL25819360 0.81 LIPE (0.50) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL8703529 0.81 KAT2B (0.58) SMN1; SMN2LMNAHTTKAT2B
SCHEMBL31287201 0.81 GAA (0.58) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL28546176 0.81 LMNA (0.57) SMN1; SMN2LMNAGAAMEN1KMT2A

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-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS SMN1; SMN2 4530/4885LMNA 2578/4885GAA 4834/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS SMN1; SMN2 4550/4885LMNA 2643/4885GAA 4845/4885

“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.