SCHEMBL16605482

SCHEMBL16605482

N=C(N)NCCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCNC(=N)N)c5)c4)s3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.41
▸ ACKR3 P25106 6/20 0.37
▸ NOS1 P29475 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PTAFR P25105 2/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL16603473 0.95 F10 (0.38) F10ACKR3NOS1NOS3NQO2
SCHEMBL16603474 0.93 IKBKB (0.36) F10ACKR3NOS1NOS3NQO2
SCHEMBL15244944 0.92 F10 (0.46) F10NOS1NOS3POLBPTAFR
SCHEMBL16603461 0.86 F10 (0.42) F10NOS1NOS3POLBPTAFR
SCHEMBL15245043 0.84 NOS1 (0.38) NOS1NOS3
SCHEMBL16605480 0.84 CDK8 (0.39) F10NOS1NOS3CYP11B2
SCHEMBL16603492 0.83 PRSS1 (0.39) F10PRSS1
SCHEMBL16605481 0.82 MKNK1 (0.41) F10NOS1NOS3PTAFRPRSS1
SCHEMBL16603484 0.81 F10 (0.38) F10NOS1NOS3PTAFRCYP11B2
SCHEMBL15244879 0.80 CYP2A6 (0.43) NOS1NOS3

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-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 — — 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-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 F10 3742/4885ACKR3 2190/4885NOS1 2056/4885

“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.

Send feedback