SCHEMBL9995304

SCHEMBL9995304

NCCCNC(=O)c1ccc(C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK8 P45983 1/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 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
SCHEMBL19262987 0.90 TSHR (0.64) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL25018799 0.89 CYP1A2 (0.54) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL14159023 0.88 CYP1A2 (0.63) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL14758320 0.87 HPGD (0.52) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL17208760 0.83 L3MBTL1 (0.59) TSHRMEN1KMT2AEPHX2NR1H4
SCHEMBL22042366 0.83 MAPK1 (0.51) EPHX2NR1H4ALDH1A1MAPK1NPC1
SCHEMBL27447913 0.83 EPHX2 (0.49) EPHX2NR1H4ALDH1A1MAPK1NPC1
SCHEMBL13063463 0.83 EPHX2 (0.51) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3523157 0.82 MAPK1 (0.61) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL18844389 0.82 L3MBTL1 (0.67) MEN1KMT2AEPHX2NR1H4ALDH1A1

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-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 WO disclosed
EP-2398822-B1 MODIFICATION OF FACTOR VIII NOVO NORDISK AS (DK) 2013-01-02 EP disclosed
EP-2398822-B1 MODIFICATION OF FACTOR VIII NOVO NORDISK AS (DK) 2013-01-02 EP disclosed
US-20110306551-A1 Modification of Factor VIII NOVO NORDISK A/S (DK) 2011-12-15 US disclosed
US-20110306551-A1 Modification of Factor VIII NOVO NORDISK A/S (DK) 2011-12-15 US disclosed
US-20110306551-A1 Modification of Factor VIII NOVO NORDISK A/S (DK) 2011-12-15 US disclosed
WO-2010102886-A1 MODIFICATION OF FACTOR VIII NOVO NORDISK A/S (DK) 2010-09-16 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-20110306551-A1 Modification of Factor VIII F8, F9, F13B CYP1A2 1139/4885TSHR 3988/4885NFKB1 76/4885

“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.