SCHEMBL30945707

SCHEMBL30945707

C#CCNC(=O)CCN1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.60
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ BAZ2B Q9UIF8 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49

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
SCHEMBL30704348 0.78 ACHE (0.67) APAF1ACHESIGMAR1
SCHEMBL11604609 0.76 APAF1 (0.98) APAF1HDAC1HDAC6BAZ2BACHE
SCHEMBL16335515 0.73 SIGMAR1 (0.68) APAF1ACHESIGMAR1
SCHEMBL29171353 0.72 BAZ2B (0.79) APAF1HDAC1HDAC6BAZ2BACHE
SCHEMBL30945718 0.72 BAZ2B (0.60) APAF1HDAC1HDAC6BAZ2BACHE
SCHEMBL2186097 0.71 L3MBTL1 (0.70) BAZ2BACHESIGMAR1
SCHEMBL30095920 0.71 SIGMAR1 (0.62) APAF1ACHESIGMAR1
SCHEMBL27246711 0.71 ACHE (0.63) APAF1HDAC1HDAC6BAZ2BACHE
Hydrochloric Acid SCHEMBL11846883 0.70 APAF1 (0.85) APAF1HDAC1HDAC6BAZ2BACHE
Carvotroline SCHEMBL350602 0.70 SIGMAR1 (0.88) ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS CULLGEN (SHANGHAI), INC. (CN) 2024-06-20 — — 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 (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-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS DCAF1, DDB1, CUL4A APAF1 751/4885HDAC1 671/4885HDAC6 1223/4885

“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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