SCHEMBL25531409

SCHEMBL25531409

C[C@H]1NC[C@H]1NC(=O)c1cc2cc(Cl)c(P)c(F)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 8/20 0.38
▸ PYGM P11217 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ SYK P43405 2/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL25531407 1.00 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21235192 0.90 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225386 0.90 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225625 0.90 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25532234 0.88 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25532231 0.87 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25531931 0.82 MLLT1 (0.39) PYGLPYGMHRH4SYKSMYD3
SCHEMBL25532227 0.81 SMYD3 (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25532233 0.81 SMYD3 (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25531884 0.80 SYK (0.41) DRD4SYKSMYD3MLLT1

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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 — — 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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 PYGL 113/4885PYGM 201/4885HRH4 2377/4885

“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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