SCHEMBL19002441

SCHEMBL19002441

CCCN(C)CC(=O)Nc1ccc(OCC)c(OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL23222177 0.89 KMT2A (0.66) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL18997327 0.85 KMT2A (0.61) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7355951 0.77 CYP3A4 (0.54) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7961633 0.75 TDP1 (0.56) KMT2ARAB9AALDH1A1NPC1
SCHEMBL7333738 0.75 LMNA (0.54) KMT2ARAB9AALDH1A1NPC1
SCHEMBL11022388 0.74 TDP1 (0.55) KMT2ARAB9AALDH1A1NPC1
SCHEMBL11660488 0.74 TDP1 (0.56) KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL13489789 0.74 KMT2A (0.49) KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL20665163 0.74 KMT2A (0.42) KMT2ARAB9AALDH1A1NPC1
SCHEMBL3197036 0.73 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (4 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885RAB9A 2641/4885ALDH1A1 2765/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885RAB9A 36/4885ALDH1A1 3448/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KMT2A 4024/4885RAB9A 36/4885ALDH1A1 3448/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885RAB9A 2641/4885ALDH1A1 2765/4885

“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.