SCHEMBL4887139

SCHEMBL4887139

CN1CCN(c2cc3c(Nc4ccc(O)cc4)nc(C=Cc4ccc([N+](=O)[O-])o4)nc3cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 4/20 0.40
KMT2A Q03164 4/20 0.40
MITF O75030 3/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
EIF2AK2 P19525 1/20 0.37
CSF1R P07333 2/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL4887131 1.00 ALDH1A1 (0.40) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4373856 0.97 ALDH1A1 (0.40) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4543948 0.97 ALDH1A1 (0.40) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4361528 0.92 ALDH1A1 (0.44) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4361527 0.92 ALDH1A1 (0.44) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4888925 0.91 MAPT (0.37) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4362881 0.91 MAPT (0.37) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL14098429 0.90 MAPT (0.39) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4375416 0.89 ALDH1A1 (0.44) ALDH1A1NPC1KMT2AMITFMEN1
SCHEMBL4375422 0.89 ALDH1A1 (0.44) ALDH1A1NPC1KMT2AMITFMEN1

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 ALDH1A1 1414/4885NPC1 484/4885KMT2A 3390/4885

“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.