SCHEMBL18045554

SCHEMBL18045554

O=C(CCBr)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
CES1 P23141 2/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
HSD11B1 P28845 1/20 0.50
CES2 O00748 1/20 0.50
MPI P34949 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SRD5A2 P31213 1/20 0.50
MMP8 P22894 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL27462401 0.95 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL240086 0.88 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL7384677 0.88 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL73490 0.85 GSK3B (1.00) GSK3BCES1CA1CA2TDP1
SCHEMBL9734470 0.85 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL1982760 0.84 GSK3B (0.66) GSK3BCES1CA1CA2TDP1
SCHEMBL11705103 0.83 GSK3B (0.65) GSK3BCES1CA1CA2TDP1
SCHEMBL9439988 0.81 GSK3B (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL6650467 0.81 GSK3B (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL4477185 0.81 CES1 (0.70) GSK3BCES1CA1CA2TDP1

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
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 GSK3B 4810/4885CES1 3618/4885CA1 383/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 GSK3B 4809/4885CES1 3558/4885CA1 306/4885

“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.