SCHEMBL23902185

SCHEMBL23902185

N=C(N)c1ccc(/C=C/c2cccc(/C=C/c3ccc(C4=NCCCN4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PRMT1 Q99873 5/20 0.44
PRMT5 O14744 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NQO2 P16083 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 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
SCHEMBL23902160 0.93 PRMT1 (0.48) NISCHPRMT1PRMT5ALDH1A1HPGD
SCHEMBL23901781 0.88 NISCH (0.58) NISCHGAATSHRPRMT1TOP2A
SCHEMBL23902308 0.85 NISCH (0.55) NISCHGAATSHRPRMT1TOP2A
SCHEMBL23902117 0.79 PRMT1 (0.59) NISCHPRMT1TOP2ATOP2BBLM
SCHEMBL23902187 0.79 NISCH (0.46) NISCHGAATSHRPLAUTOP2A
SCHEMBL23902184 0.79 NISCH (0.46) NISCHGAATSHRPLAUTOP2A
SCHEMBL23901777 0.76 NISCH (0.43) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902148 0.76 PRMT1 (0.76) PRMT1PRMT5ALDH1A1HPGDCYP2C19
SCHEMBL23901778 0.76 F2 (0.52)
SCHEMBL23901776 0.76 NISCH (0.42) NISCHGAATSHRTOP2ATOP2B

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 24/4885GAA 885/4885TSHR 1561/4885

“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.