SCHEMBL23901905

SCHEMBL23901905

COc1cc(C2=NCCN2)ccc1COc1cccc(OCc2ccc(C3=NCCN3)cc2OC)c1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.50
MAOB P27338 2/20 0.44
MC4R P32245 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGIR P43119 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL23901891 0.87 NISCH (0.51) NISCHMAOB
SCHEMBL23566307 0.86 NISCH (0.50) NISCHMAOBMC4RKDM4EMAOA
Hydrochloric Acid SCHEMBL23880715 0.85 NISCH (0.49) NISCHMAOBMC4RKDM4EMAOA
SCHEMBL23901800 0.84 NISCH (0.52) NISCHMAOBMC4RKDM4EPDCD1LG2
SCHEMBL23880731 0.84 NISCH (0.49) NISCHMAOBMC4RKDM4EPTGIR
SCHEMBL23902330 0.81 NISCH (0.50) NISCHMAOBKDM4EPTGIR
SCHEMBL23901804 0.80 RUVBL1 (0.44) NISCHMAOBMC4R
SCHEMBL23901886 0.80 NISCH (0.48) NISCHMAOBMC4RPDCD1LG2CD274
SCHEMBL23902203 0.80 NISCH (0.48) NISCHMAOBMC4RKDM4EPDCD1LG2
SCHEMBL23901882 0.79 NISCH (0.52) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 NISCH 24/4885MAOB 2311/4885MC4R 3733/4885

“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.