SCHEMBL4468352

SCHEMBL4468352

O=[N+]([O-])c1ccc(OCCCCl)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
LMNA P02545 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR4 O95977 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL13140933 0.86 MAPT (0.51) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL31174878 0.86 S1PR4 (0.44) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL22117910 0.86 S1PR4 (0.44) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8110099 0.84 TSHR (0.58) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL1610511 0.84 SNCA (0.47) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL31415500 0.83 S1PR4 (0.48) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL16619494 0.82 MAPT (0.42) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL1646321 0.81 MAPT (0.52) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL2911094 0.81 KMT2A (0.58) MAPTLMNAHPGDKMT2AALDH1A1
SCHEMBL8322081 0.81 KMT2A (0.43) MAPTLMNAHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885LMNA 4856/4885HPGD 551/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885LMNA 4856/4885HPGD 551/4885

“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.