SCHEMBL891056

SCHEMBL891056

CCN(CC)c1ccc2nc3c(O[Cl+3]([O-])([O-])[O-])cc(N(CC)CC)cc3[o+]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TERT O14746 1/20 0.39
MAPT P10636 6/20 0.36
POLB P06746 3/20 0.36
BLM P54132 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 3/20 0.33
NLRP3 Q96P20 2/20 0.33
USP2 O75604 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GFER P55789 1/20 0.32
HTT P42858 4/20 0.32
KDM4E B2RXH2 2/20 0.32

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
Perchlorate SCHEMBL891055 0.81 TERT (0.54) L3MBTL1ALDH1A1TERTMAPTPOLB
SCHEMBL29549001 0.78 TERT (0.61) L3MBTL1ALDH1A1TERTMAPTPOLB
SCHEMBL3899512 0.78 TERT (0.61) L3MBTL1ALDH1A1TERTMAPTPOLB
Hydrochloric Acid SCHEMBL2854081 0.77 TERT (0.59) L3MBTL1ALDH1A1TERTMAPTPOLB
Hydrochloric Acid SCHEMBL31741233 0.77 TERT (0.59) L3MBTL1ALDH1A1TERTMAPTPOLB
Hydrochloric Acid SCHEMBL1259938 0.75 TERT (0.58) L3MBTL1ALDH1A1TERTMAPTPOLB
Perchlorate SCHEMBL4543462 0.74 L3MBTL1 (0.38) L3MBTL1ALDH1A1TERTMAPTPOLB
SCHEMBL4856935 0.72 TERT (0.50) L3MBTL1ALDH1A1TERTMAPTPOLB
SCHEMBL13154621 0.72 TERT (0.40) L3MBTL1ALDH1A1TERTMAPTPOLB
SCHEMBL30562991 0.71 L3MBTL1 (0.40) L3MBTL1ALDH1A1TERTMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722076-B2 Photochrome- or near IR dye-coupled polymeric matrices for medical articles SURMODICS, INC. (US) 2014-05-13 US disclosed
US-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2012-04-05 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 (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-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES IK, PIR, PLOD1 L3MBTL1 4015/4885ALDH1A1 2674/4885TERT 2188/4885

“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.