SCHEMBL25934773

SCHEMBL25934773

C/C=C(\N=C(C)C)c1cccc(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC2 Q92769 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
SCHEMBL18656137 0.84 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL24934193 0.81 SMN1; SMN2 (0.40) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL8281296 0.77 PARP1 (0.44) SMN1; SMN2KDM4EHPGDHDAC8TDP1
SCHEMBL10775625 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL16939757 0.72 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL12759570 0.72 CASP3 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL16939761 0.72 CASP3 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL299924 0.71 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL31529664 0.71 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL2737366 0.71 RXRA (0.51) MAPTSMN1; SMN2ALDH1A1KDM4ECYP3A4

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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3027/4885SMN1; SMN2 2298/4885ALDH1A1 4654/4885

“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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