SCHEMBL4034943

SCHEMBL4034943

C=CCNc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HCAR3 P49019 1/20 0.50
GAA P10253 2/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 2/20 0.44
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 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
SCHEMBL1252601 0.83 HCAR3 (0.66) POLBHCAR3MAPTSMN1; SMN2NPC1
SCHEMBL9654359 0.82 MAPT (0.59) POLBHCAR3MAPTSMN1; SMN2MEN1
SCHEMBL9218700 0.82 KMT2A (0.51) HCAR3GAAMAPTSMN1; SMN2NPC1
SCHEMBL9220760 0.82 HCAR3 (0.50) POLBHCAR3MAPTSMN1; SMN2NPC1
SCHEMBL8521877 0.78 RECQL (0.58) HCAR3GAAMAPTSMN1; SMN2NPC1
SCHEMBL6572192 0.77 HCAR3 (0.49) POLBHCAR3GAAMAPTSMN1; SMN2
SCHEMBL3143350 0.77 POLB (0.61) POLBGAAMAPTSMN1; SMN2NPC1
SCHEMBL3220892 0.76 HCAR3 (0.64) HCAR3MAPTRAB9AMEN1KMT2A
SCHEMBL4857452 0.75 MAPT (0.61) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13012425 0.74 POLB (0.43) POLBMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046465-A2 THERAPEUTIC INDOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO disclosed
WO-2019046465-A2 THERAPEUTIC INDOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 POLB 2618/4885HCAR3 902/4885GAA 3188/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 POLB 2324/4885HCAR3 888/4885GAA 2206/4885

“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.