SCHEMBL26545442

SCHEMBL26545442

CCCCCC(=O)Nc1ncnn2c(C(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ XDH P47989 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DEGS1 O15121 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SOAT1 P35610 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ SOAT2 O75908 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL26545440 0.99 DEGS1 (0.42) HTTNCOA1NCOA3XDHNPC1
SCHEMBL26545444 0.92 TSHR (0.44) HTTNCOA1NCOA3L3MBTL1GSK3B
SCHEMBL26200122 0.84 EGFR (0.44) HTTNCOA1NCOA3XDHNPC1
SCHEMBL26200123 0.83 DEGS1 (0.44) HTTNCOA1NCOA3XDHNPC1
SCHEMBL26545741 0.80 EGLN2 (0.34) TSHR
SCHEMBL26229442 0.80 PKM (0.36) NPC1L3MBTL1RAB9APOLBALDH1A1
SCHEMBL26229441 0.80 MEN1 (0.38) HTTSMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL26545438 0.79 EGLN2 (0.34) TSHR
SCHEMBL26229443 0.79 TSHR (0.44) HTTNPC1RAB9AGSK3BSMN1; SMN2
SCHEMBL26200121 0.75 KDR (0.47) HTTNCOA1NCOA3L3MBTL1GSK3B

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 HTT 1749/4885NCOA1 1851/4885NCOA3 1593/4885

“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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