SCHEMBL7279965

SCHEMBL7279965

NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 1/20 0.65
GAA P10253 1/20 0.65
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
NPC1 O15118 2/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53

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
Hydrochloric Acid SCHEMBL6026802 0.83 MAPT (0.74) MAPTALDH1A1SMN1; SMN2GAAPOLB
Hydrochloric Acid SCHEMBL6026805 0.83 MAPT (0.74) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL2154604 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL26758043 0.81 MAPT (0.61) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL402026 0.81 MAPT (0.71) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL27821106 0.81 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL29886497 0.81 KMT2A (0.71) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL16592490 0.81 KMT2A (0.71) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL7287487 0.79 SIRT2 (0.76) MAPTALDH1A1L3MBTL1SIRT2
SCHEMBL25306797 0.78 MAPK1 (0.68) MAPTALDH1A1SMN1; SMN2KDM4EPOLB

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
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 MAPT 3912/4885ALDH1A1 1566/4885SMN1; SMN2 3946/4885

“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.