SCHEMBL4882744

SCHEMBL4882744

O=[N+]([O-])c1ccc(C=Cc2nc(N(CCO)CCO)c3cc(F)ccc3n2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ POLB P06746 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTT P42858 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 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
SCHEMBL4882729 1.00 KMT2A (0.42) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4887107 0.93 KMT2A (0.41) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4887111 0.93 KMT2A (0.41) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4375666 0.88 KMT2A (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4375669 0.88 KMT2A (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4884936 0.81 ALDH1A1 (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4884945 0.81 ALDH1A1 (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4879599 0.81 ALDH1A1 (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4879609 0.81 ALDH1A1 (0.39) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL4883450 0.80 MAPT (0.41) KMT2AMEN1POLBNPC1ALDH1A1

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-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 KMT2A 3390/4885MEN1 1271/4885POLB 1432/4885

“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.

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