SCHEMBL23901790

SCHEMBL23901790

CN1CCN=C1c1ccc(OCc2cccc(COc3ccc(C4=NCCN4C)cc3)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR5 Q9H228 2/20 0.37
S1PR3 Q99500 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GYS1 P13807 2/20 0.36
MAOB P27338 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALKBH1 Q13686 1/20 0.35

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
SCHEMBL23902301 0.85 TOP2A (0.50) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23902197 0.85 NPC1 (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23901888 0.83 PTGS2 (0.40) NPC1RAB9ASMN1; SMN2S1PR5S1PR3
SCHEMBL23901896 0.81 PIK3CG (0.40) SMN1; SMN2ALKBH1
SCHEMBL23902259 0.75 PARP10 (0.41) NPC1RAB9A
SCHEMBL14085132 0.73 TOP2A (0.44)
SCHEMBL23566306 0.71 NISCH (0.54) RECQLMAOB
Hydrochloric Acid SCHEMBL23880706 0.70 NISCH (0.52) RECQLMAOB
SCHEMBL23901788 0.69 NISCH (0.50) MAOB
SCHEMBL122260 0.69 ADORA3 (0.46) RECQL

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 NPC1 1939/4885RAB9A 1026/4885NFKB1 689/4885

“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.