SCHEMBL22502222

SCHEMBL22502222

CCCC(=O)COc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 5/20 0.49
▸ HTT P42858 4/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL6921762 0.83 PTGDR2 (0.63) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL6928011 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1106918 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL20042055 0.82 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL28103119 0.80 HTT (0.57) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7416033 0.80 CYP19A1 (0.59) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1008451 0.80 HTT (0.60) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL5704529 0.79 MAPT (0.61) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1531280 0.78 PTGDR2 (0.63) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL29375687 0.78 MAPT (0.60) KMT2AALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115176-A1 Complement Modulators and Related Methods RA PHARMACEUTICALS, INC. 2023-04-13 — — US disclosed
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 — — EP disclosed
WO-2020205501-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA PHARMACEUTICALS, INC. (US) 2020-10-08 — — WO disclosed
WO-2020205501-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA PHARMACEUTICALS, INC. (US) 2020-10-08 — — WO 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-20230115176-A1 Complement Modulators and Related Methods C5, C9, C1QBP KMT2A 4703/4885MEN1 177/4885ALDH1A1 4659/4885

“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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