SCHEMBL23901784

SCHEMBL23901784

COc1cc(C2=NCCCN2)ccc1OCc1cc(C)cc(COc2ccc(C3=NCCCN3)cc2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.49
RUVBL1 Q9Y265 1/20 0.48
MAOB P27338 1/20 0.44
S1PR1 P21453 1/20 0.41
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38

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
SCHEMBL23902237 0.93 NISCH (0.51) NISCHMAOBS1PR1KDM4E
SCHEMBL23902154 0.88 NISCH (0.51) NISCHRUVBL1S1PR1TSHRGAA
SCHEMBL23566464 0.82 NISCH (0.58) NISCHRUVBL1TSHRGAATOP2A
Hydrochloric Acid SCHEMBL23541343 0.81 NISCH (0.57) NISCHTSHRGAATOP2ATOP2B
SCHEMBL23901934 0.81 NISCH (0.49) NISCHS1PR1
SCHEMBL23902332 0.81 MAOB (0.41) NISCHRUVBL1MAOBS1PR1TSHR
SCHEMBL23901804 0.80 RUVBL1 (0.44) NISCHRUVBL1MAOBS1PR1TSHR
Hydrochloric Acid SCHEMBL23880716 0.79 RUVBL1 (0.44) NISCHRUVBL1MAOBS1PR1TSHR
SCHEMBL23235762 0.79 NISCH (0.48) NISCHRUVBL1MAOBTSHRGAA
Hydrochloric Acid SCHEMBL23880729 0.78 NISCH (0.47) NISCHRUVBL1MAOBTSHRGAA

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 24/4885RUVBL1 3197/4885MAOB 2311/4885

“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.