Sugi Predict

Sugi Predict / Compounds / SCHEMBL6846548

SCHEMBL6846548

SCHEMBL6846548

C[C@](N)(C=O)c1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ SSTR4 P31391 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 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
SCHEMBL4379182 0.80 NCF1 (0.48) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL762342 0.75 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL30824476 0.75 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL28623257 0.75 MGAM (0.47) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL30771873 0.75 MGAM (0.47) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL4372873 0.74 NCF1 (0.42) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL10694363 0.72 MAPT (0.47) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL24716272 0.72 NCF1 (0.48) NCF1CYP1A2NOS2BACE1AHR
SCHEMBL10773584 0.72 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1SSTR4
SCHEMBL18464484 0.72 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767718-B2 CYCLODEPSIPEPTIDE INTERMEDIATES USED TO SYNTHESIZE NEW LIPODEPSIPEPTIDE ; ANTIBIOTICS; HAVE ANTIBACTERIAL ACTIVITY AGAINST GRAM POSITIVE BACTERIA; LESS TOXIC THAN ANTIBIOTIC DAPTOMYCIN BIOSOURCE PHARM, INC. 2004-07-27 — — US claimed
US-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation BIOSOURCE PHARM, INC. 2003-12-04 — — US claimed
US-6767718-B2 CYCLODEPSIPEPTIDE INTERMEDIATES USED TO SYNTHESIZE NEW LIPODEPSIPEPTIDE ; ANTIBIOTICS; HAVE ANTIBACTERIAL ACTIVITY AGAINST GRAM POSITIVE BACTERIA; LESS TOXIC THAN ANTIBIOTIC DAPTOMYCIN BIOSOURCE PHARM, INC. 2004-07-27 — — US disclosed
US-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation BIOSOURCE PHARM, INC. 2003-12-04 — — 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-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation NPEPPS, MRPL38, LYPLA2 NCF1 1110/4885CYP1A2 4562/4885NOS2 4389/4885

“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.