SCHEMBL19899552

SCHEMBL19899552

Fc1ccc2oc(Nc3nc4cnccc4o3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MPO P05164 1/20 0.37
C1R P00736 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IL6 P05231 1/20 0.36
STAT3 P40763 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL19899794 0.82 KCNH2 (0.53) NPC1RAB9AMAPTFBP1MEN1
SCHEMBL19914373 0.82 MAPT (0.42) FAAHNPC1RAB9AMAPTMEN1
SCHEMBL31430447 0.80 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL31430570 0.79 IL6 (0.57) FAAHNPC1RAB9AMAPTFBP1
SCHEMBL31430595 0.75 IL6 (0.44) FAAHNPC1RAB9AMAPTFBP1
SCHEMBL21130409 0.75 NPC1 (0.44) FAAHNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19899563 0.75 S1PR3 (0.51) NPC1RAB9AMAPTFBP1MEN1
SCHEMBL31430518 0.75 IL6 (0.44) FAAHNPC1RAB9AMAPTFBP1
SCHEMBL31430550 0.75 IL6 (0.47) FAAHNPC1RAB9AMAPTFBP1
SCHEMBL19914393 0.75 FAAH (0.40) FAAHNPC1RAB9AMAPTFBP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 FAAH 3039/4885NPC1 114/4885RAB9A 1688/4885

“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.