SCHEMBL4526488

SCHEMBL4526488

O=C(CNC1CC1[N+](=O)[O-])Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.49
P2RX7 Q99572 1/20 0.44
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL7101669 0.73 EPHX2 (0.50) KDM1AEPHX2ALDH1A1MAPTMEN1
SCHEMBL28520136 0.71 MEN1 (0.65) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5967465 0.70 MEN1 (0.68) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL733776 0.70 EPHX2 (0.53) KDM1AEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8509315 0.67 HDAC4 (0.57) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL1561387 0.67 MAPT (0.70) KDM1AEPHX2ALDH1A1MAPTMEN1
SCHEMBL6013464 0.67 MAOB (0.59) KDM1AEPHX2ALDH1A1MAPTMEN1
SCHEMBL11458040 0.67 L3MBTL1 (0.66) KDM1AEPHX2ALDH1A1MAPTMEN1
SCHEMBL12283067 0.67 KDM1A (0.66) KDM1AMAOB
SCHEMBL2337984 0.67 KDM1A (0.66) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 KDM1A 1715/4885P2RX7 53/4885EPHX2 4003/4885

“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.