SCHEMBL26545444

SCHEMBL26545444

CCCC(=O)Nc1ncnn2c(C(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 2/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ BRPF1 P55201 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GSK3B P49841 6/20 0.36
▸ GSK3A P49840 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL26545442 0.92 HTT (0.42) TSHRHTTNCOA1NCOA3GSK3B
SCHEMBL26545440 0.91 DEGS1 (0.42) HTTNCOA1NCOA3GSK3BALDH1A1
SCHEMBL26200121 0.83 KDR (0.47) TSHRHTTNCOA1NCOA3TP53
SCHEMBL26545741 0.83 EGLN2 (0.34) TSHR
SCHEMBL26229442 0.83 PKM (0.36) TSHRKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL26229441 0.82 MEN1 (0.38) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL26545438 0.82 EGLN2 (0.34) TSHR
SCHEMBL26229443 0.82 TSHR (0.44) TSHRHTTGSK3BGSK3AALDH1A1
SCHEMBL26209321 0.78 KDM4E (0.38) TSHRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL12392894 0.75 MAP4K4 (0.46) HTTKDM4EALDH1A1HSD17B10HPGD

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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — US disclosed
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — 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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT TSHR 4522/4885HTT 1749/4885NCOA1 1851/4885

“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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