SCHEMBL7385396

SCHEMBL7385396

O=C1Cc2ccccc2C1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.59
HTR2A P28223 6/20 0.45
CYP1A2 P05177 1/20 0.41
HRH1 P35367 3/20 0.41
HTR2C P28335 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27788617 0.81 ACP3 (0.46) ANPEPHTR2A
SCHEMBL7127466 0.76 ANPEP (0.61) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL28518727 0.74 ANPEP (1.00) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL2187484 0.74 ANPEP (0.59) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL2278230 0.74 ANPEP (0.59) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL18999729 0.74 ANPEP (1.00) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL30633009 0.74 ANPEP (0.59) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL6514594 0.74 ANPEP (0.59) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL7742080 0.74 ANPEP (0.59) ANPEPHTR2ACYP1A2HRH1HTR2C
SCHEMBL17070963 0.72 ANPEP (0.57) ANPEPHTR2ACYP1A2HRH1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 WO 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ANPEP 3558/4885HTR2A 4225/4885CYP1A2 408/4885

“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.