SCHEMBL25532231

SCHEMBL25532231

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 6/20 0.38
▸ PYGM P11217 2/20 0.35
▸ SMYD3 Q9H7B4 2/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SYK P43405 2/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ SETD2 Q9BYW2 1/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ EIF4A3 P38919 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 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
SCHEMBL21225386 0.90 PYGL (0.39) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL21225625 0.90 PYGL (0.39) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL21235192 0.90 PYGL (0.39) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25532234 0.88 PYGL (0.38) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25531409 0.87 PYGL (0.38) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25531407 0.87 PYGL (0.38) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25532227 0.81 SMYD3 (0.38) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25532233 0.81 SMYD3 (0.38) PYGLPYGMSMYD3HRH4EHMT2
SCHEMBL25531945 0.80 SYK (0.41) SMYD3DRD4SYKNSD2SETD2
SCHEMBL21225563 0.76 PYGL (0.39) PYGLPYGMSMYD3HRH4EHMT2

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 201/4885SMYD3 650/4885

“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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