SCHEMBL7709535

SCHEMBL7709535

COC(=O)C(=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BRAF P15056 1/20 0.42
HDAC1 Q13547 1/20 0.42
KMT2A Q03164 1/20 0.40
SMPD3 Q9NY59 1/20 0.38
FPR2 P25090 2/20 0.36
HSPA5 P11021 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7407101 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2004766 0.81 NPC1 (0.52) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL5838309 0.80 NPC1 (0.42) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL1937210 0.80 RAB9A (0.46) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL262815 0.80
SCHEMBL9442082 0.78 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL5829402 0.77 NPC1 (0.48) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL5324109 0.75 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL10784714 0.74 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL5160052 0.74 NPC1 (0.44) ALDH1A1KDM4ENPC1RAB9ABRAF

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-11319292-B2 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2022-05-03 US disclosed
US-11319292-B2 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2022-05-03 US disclosed
US-20210403434-A1 METABOLICALLY STABLE 5-HMF DERIVATIVES FOR THE TREATMENT OF HYPOXIA VIRGINIA COMMONWEALTH UNIVERSITY 2021-12-30 US disclosed
US-20210403434-A1 METABOLICALLY STABLE 5-HMF DERIVATIVES FOR THE TREATMENT OF HYPOXIA VIRGINIA COMMONWEALTH UNIVERSITY 2021-12-30 US disclosed
US-20210340109-A1 METABOLICALLY STABLE 5-HMF DERIVATIVES FOR THE TREATMENT OF HYPOXIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-04 US disclosed
US-11149012-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2021-10-19 US disclosed
US-11149012-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2021-10-19 US disclosed
US-10836729-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2020-11-17 US disclosed
US-10836729-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia KING ABDULAZIZ UNIVERSITY (SA) 2020-11-17 US disclosed
US-6362192-B1 FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 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 (5 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-20210340109-A1 METABOLICALLY STABLE 5-HMF DERIVATIVES FOR THE TREATMENT OF HYPOXIA HIF1AN, HMOX2, HIF1A ALDH1A1 307/4885KDM4E 742/4885NPC1 2788/4885
US-11149012-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia HIF1AN, HMOX2, HIF1A ALDH1A1 307/4885KDM4E 742/4885NPC1 2788/4885
US-10836729-B1 Metabolically stable 5-HMF derivatives for the treatment of hypoxia HIF1AN, HMOX2, HIF1A ALDH1A1 307/4885KDM4E 742/4885NPC1 2788/4885
US-11319292-B2 Metabolically stable 5-HMF derivatives for the treatment of hypoxia HIF1AN, HMOX2, HIF1A ALDH1A1 307/4885KDM4E 742/4885NPC1 2788/4885
US-20210403434-A1 METABOLICALLY STABLE 5-HMF DERIVATIVES FOR THE TREATMENT OF HYPOXIA HIF1AN, HMOX2, HIF1A ALDH1A1 307/4885KDM4E 742/4885NPC1 2788/4885

“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.