SCHEMBL21776404

SCHEMBL21776404

N#Cc1ccc(-c2ccc(CN3CCOc4ccccc4C3)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIN1 Q13526 1/20 0.38
▸ PTGER2 P43116 1/20 0.37
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ APP P05067 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL15632732 0.80 PTGER2 (0.40) MEN1KMT2APTGER2APPHRH3
SCHEMBL19049010 0.80 KMT2A (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7856805 0.71 APP (0.46) ALDH1A1APP
SCHEMBL18997236 0.71 APP (0.35) PTGER2APPHRH3HRH1HRH2
SCHEMBL5148167 0.71 HRH3 (0.51) MEN1ALDH1A1KMT2ASMN1; SMN2PIN1
SCHEMBL4788136 0.70 DRD2 (0.51) ABCB1ALDH1A1PTGER2HIF1AHRH3
SCHEMBL6436620 0.69 CYP2D6 (0.51) APPHRH1HTR1AHTR2B
SCHEMBL13990655 0.66 HTT (0.55) MEN1ALDH1A1KMT2ASMN1; SMN2HRH3
SCHEMBL20767370 0.64 CYP1A2 (0.39) ABCB1MEN1ALDH1A1KMT2AHIF1A
SCHEMBL21471752 0.64 APP (0.50) ALDH1A1APPDRD2

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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 — — US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 — — 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ABCB1 3166/4885MEN1 1612/4885ALDH1A1 3448/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ABCB1 3166/4885MEN1 1612/4885ALDH1A1 3448/4885

“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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