Hexane

Hexane

SCHEMBL21545676

CCCCCC.CCOC(=O)Cc1ccccc1NC(=O)c1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)nn2c(CN3CCCC3)ccc12

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.46
▸ SUCNR1 Q9BXA5 4/20 0.41
▸ NAMPT P43490 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL21455653 0.98 CFD (0.48) CFDSUCNR1NAMPTBRD4ROCK2
SCHEMBL25879822 0.86 CFD (0.48) CFDSUCNR1NAMPTBRD4ROCK2
SCHEMBL21437981 0.86 CFD (0.63) CFDSUCNR1
SCHEMBL21439457 0.84 CFD (0.56) CFDNAMPTBRD4ROCK2LMNA
SCHEMBL31266585 0.81 CFD (0.69) CFDSUCNR1NAMPTBRD4ROCK2
SCHEMBL21455667 0.81 CFD (0.69) CFDSUCNR1NAMPTBRD4ROCK2
Hexane SCHEMBL21545511 0.79 SUCNR1 (0.39) CFDSUCNR1NAMPTBRD4LMNA
SCHEMBL21439648 0.78 HDAC1 (0.44) CFDSUCNR1NAMPTBRD4POLB
Hexane SCHEMBL21545666 0.78 CFD (0.44) CFDSUCNR1NAMPTBRD4HDAC1
SCHEMBL21439709 0.77 SUCNR1 (0.40) CFDSUCNR1NAMPTBRD4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-07-23 — — US disclosed
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-01-09 — — US disclosed
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20230099716-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 — — US disclosed
US-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-09 — — US disclosed
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-22 — — US disclosed
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-11-14 — — 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 (9 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-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-20230099716-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885SUCNR1 2424/4885NAMPT 126/4885

“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.

Send feedback