SCHEMBL26163607

SCHEMBL26163607

COc1cccc(C2CCN(C)C(=O)C2C(=O)Nc2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ FPR2 P25090 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL18815173 0.90 ROCK2 (0.40) TDP1NPSR1ALDH1A1USP2RAB9A
SCHEMBL20044413 0.89 MEN1 (0.47) TDP1NPSR1ALDH1A1USP2RAB9A
SCHEMBL20044140 0.87 LMNA (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL20044027 0.86 KMT2A (0.42) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20044383 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL20043908 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL20044415 0.83 TP53 (0.41) TDP1NPSR1ALDH1A1USP2RAB9A
SCHEMBL20043989 0.83 ALDH1A1 (0.43) TDP1NPSR1ALDH1A1USP2RAB9A
SCHEMBL20044170 0.83 ALDH1A1 (0.43) TDP1NPSR1ALDH1A1USP2RAB9A
SCHEMBL20043922 0.83 ROCK2 (0.39) FPR2MGLL

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-20230278972-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORPORATION 2023-09-07 — — US disclosed
US-20230150945-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES FMC CORPORATION 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 (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-20230278972-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES CBR3, CBR1, GRHPR TDP1 1861/4885NPSR1 68/4885ALDH1A1 1354/4885
US-20230150945-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES CYP1B1, CHRM2, CYP1A1 TDP1 531/4885NPSR1 1644/4885ALDH1A1 488/4885

“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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