Sugi Predict

Sugi Predict / Compounds / SCHEMBL4373882

SCHEMBL4373882

SCHEMBL4373882

O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(F)c(N3CCOCC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ POLB P06746 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4373884 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4368994 0.96 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4880136 0.96 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4371382 0.90 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4543402 0.90 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4365193 0.87 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4877293 0.87 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4369479 0.81 MAPT (0.39) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4369481 0.81 MAPT (0.39) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4876145 0.81 MAOB (0.38) ALDH1A1KMT2AMAPTMEN1NPC1

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
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 — — WO disclosed
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 — — WO disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 — — US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 — — US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 — — 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-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 ALDH1A1 1414/4885KMT2A 3390/4885MAPT 4864/4885

“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.