Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104627

SCHEMBL1104627

SCHEMBL1104627

Nc1ccc(/C=C/Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.47
▸ DHFR P00374 1/20 0.41
▸ ATP4A P20648 1/20 0.39
▸ ATP4B P51164 1/20 0.39
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 0.39

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
SCHEMBL13727384 0.83 EPHX2 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3927479 0.80 MAOB (0.56) MAOBCYP19A1MAOANPC1RAB9A
SCHEMBL3927482 0.80 MAOB (0.56) MAOBCYP19A1MAOANPC1RAB9A
SCHEMBL454174 0.78 MAOB (0.59) MAOBDHFRCA1CA2ARG2
SCHEMBL13728735 0.75 LOXL2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL163963 0.75 MAOB (0.67) MAOBCA1CA2ARG2IDO1
SCHEMBL4256257 0.75 MAOB (0.67) MAOBCA1CA2ARG2IDO1
SCHEMBL1892917 0.75 MAOB (0.67) MAOBCA1CA2ARG2IDO1
SCHEMBL13357307 0.74 NOS3 (0.43) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL4731796 0.74 NOS3 (0.43) MAOBGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 — — US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 — — US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 — — US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 — — US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 — — 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 (3 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-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MAOB 1085/4885DHFR 753/4885ATP4A 2636/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MAOB 1017/4885DHFR 447/4885ATP4A 1474/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAOB 546/4885DHFR 180/4885ATP4A 1343/4885

“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.