SCHEMBL6754375

SCHEMBL6754375

Cc1cc([N+](=O)[O-])cnc1NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CTSB P07858 1/20 0.48
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL6794700 0.88 ALDH1A1 (0.56) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL6756626 0.85 HDAC4 (0.48) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL4033959 0.84 MAPT (0.66) ALDH1A1HTTCYP1A2CYP3A4L3MBTL1
SCHEMBL4820842 0.83 MEN1 (0.65) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL6870144 0.83 L3MBTL1 (0.49) ALDH1A1CYP1A2CYP3A4L3MBTL1CTSB
SCHEMBL6757942 0.82 VNN1 (0.46) ALDH1A1CYP1A2CYP3A4L3MBTL1CTSB
SCHEMBL6755736 0.80 HDAC3 (0.56) ALDH1A1CYP1A2CYP3A4L3MBTL1CTSB
SCHEMBL6757852 0.76 SMN1; SMN2 (0.68) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL7544748 0.76 MGMT (0.50) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL6870152 0.76 CTSB (0.49) ALDH1A1HTTCYP1A2CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ALDH1A1 1144/4885HTT 2432/4885GAA 4703/4885

“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.