SCHEMBL25010296

SCHEMBL25010296

CC1CCCCN1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ KDM4E B2RXH2 5/20 0.61
▸ HPGD P15428 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ GAA P10253 4/20 0.61
▸ RAD52 P43351 2/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ GALK1 P51570 1/20 0.54
▸ GLA P06280 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NAMPT P43490 5/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL25009402 0.91 RAD52 (0.68) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25009208 0.83 MEN1 (0.98) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25009667 0.80 MEN1 (0.76) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL20467512 0.77 HPGD (0.67) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25009221 0.77 MEN1 (0.82) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL20467544 0.77 ALDH1A1 (1.00) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL20467353 0.76 MEN1 (0.67) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25009226 0.75 RAD52 (0.72) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25011151 0.75 RAD52 (0.87) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL25009697 0.75 MEN1 (0.72) KMT2AMEN1KDM4EHPGDALDH1A1

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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 — — 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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 KMT2A 2885/4885MEN1 2504/4885KDM4E 2556/4885

“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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