SCHEMBL23902114

SCHEMBL23902114

c1cc(CCc2ccc(C3=NCCN3)cc2)cc(CCc2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 0.67
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
MAOB P27338 2/20 0.50
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL23902307 0.94 NISCH (0.60) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL23901785 0.91 NISCH (0.58) NISCHTOP2ATOP2B
SCHEMBL23902159 0.87 NISCH (0.52) NISCH
SCHEMBL23902200 0.84 NISCH (0.68) NISCHLMNARECQLMAOBMAOA
Hydrochloric Acid SCHEMBL10928251 0.84 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL23880726 0.83 NISCH (0.66) NISCHLMNARECQLMAOBTOP2A
SCHEMBL23902226 0.82 NISCH (0.60) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL23235807 0.81 NISCH (0.58) NISCHLMNARECQLMAOBTOP2A
SCHEMBL4706553 0.80 NISCH (0.71) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL3532945 0.80 NISCH (0.71) NISCHLMNARECQLTOP2ATOP2B

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 24/4885LMNA 2726/4885RECQL 2506/4885

“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.