SCHEMBL3172364

SCHEMBL3172364

NC(CCCCBr)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.64
ARG2 P78540 4/20 0.57
ARG1 P05089 3/20 0.57
NOS2 P35228 6/20 0.50
NOS1 P29475 4/20 0.50
CYP1A2 P05177 3/20 0.50
NOS3 P29474 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
SLC1A3 P43003 1/20 0.50

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
SCHEMBL27727385 1.00 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL12594195 0.98 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL9827768 0.98 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL4390305 0.98 GSR (0.61) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL27706580 0.98 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL9827465 0.98 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL27805765 0.93
Hydrochloric Acid SCHEMBL1764073 0.91 GSR (0.58) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL1764070 0.91 GSR (0.58) GSRARG2ARG1NOS2NOS1
SCHEMBL29268443 0.87 GSR (0.80) GSRARG2ARG1NOS2NOS1

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
CN-116724053-A Immunotherapy targeting SOX2 antigen 弗雷德哈钦森癌症中心 2023-09-08 CN disclosed
EP-1640380-B1 HISTONE DEACETYLASE INHIBITOR AND PROCESS FOR PRODUCING THE SAME RIKEN (JP) 2010-03-10 EP disclosed
US-7662778-B2 a compound containing cyclic tetrapeptide coupled to amide, ester, ketone groups; apoptosis and cell differentiation inducer; cancer metastasis and angiogenesis inhibitor; catalytic hydrogenation, acid treatment, fluoride anion treatment, or hydrolysis for deblocking; coupling cyclic tertrapeptide RIKEN (JP) 2010-02-16 US disclosed
US-20070185071-A1 Histone deacetylase inhibitor and process for producing the same RIKEN (JP) 2007-08-09 US disclosed
EP-1640380-A1 HISTONE DEACETYLASE INHIBITOR AND PROCESS FOR PRODUCING THE SAME Riken (JP) 2006-03-29 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-20070185071-A1 Histone deacetylase inhibitor and process for producing the same HDAC1, HDAC4, HDAC5 GSR 4199/4885ARG2 1377/4885ARG1 724/4885

“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.