SCHEMBL30336981

SCHEMBL30336981

O=C1NCC(=O)N2CCN(Cc3ccsc3)CC12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL30336969 0.91 CPB2 (0.42) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL24152329 0.82 GSK3B (0.50) ALDH1A1SIGMAR1
SCHEMBL28980928 0.78 DRD2 (0.43) LMNAOPRL1KMT2AMEN1ALDH1A1
SCHEMBL30336973 0.76 KMT2A (0.49) OPRM1OPRL1KMT2AMEN1SIGMAR1
SCHEMBL26092955 0.74 SIGMAR1 (0.43) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL24939864 0.74 CHRNA7 (0.49) OPRM1OPRK1
SCHEMBL30337156 0.72 CHKA (0.50) —
SCHEMBL28980917 0.72 FAAH (0.48) —
SCHEMBL28980935 0.71 KDM4E (0.47) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30337109 0.71 TSHR (0.47) OPRM1OPRK1OPRL1KMT2AMEN1

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-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 — — US disclosed
CN-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 — — CN 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 (1 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-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 LMNA 2799/4885OPRM1 3989/4885OPRD1 4131/4885

“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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