SCHEMBL10191029

SCHEMBL10191029

CN(C)c1ccc(-c2cnc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 5/20 0.43
TP53 P04637 4/20 0.43
HSD17B10 Q99714 4/20 0.43
GLA P06280 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL13246101 0.86 RAB9A (0.50) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL10137886 0.82 NPC1 (0.41) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL26915340 0.82 ALDH1A1 (0.58) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL31715318 0.81 ALDH1A1 (0.47) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL6014510 0.78 HTR6 (0.45) ALDH1A1NPC1KDM4EGAATP53
SCHEMBL2027364 0.78 NPC1 (0.57) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL12581370 0.78 NPC1 (0.57) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL20832954 0.76 ALDH1A1 (0.51) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL1082639 0.74 MAPT (0.54) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL21125355 0.74 SLC2A1 (0.42) RAB9AALDH1A1NPC1KDM4EHPGD

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991273-B2 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS LIFE TECHNOLOGIES CORP (US) 2022-01-05 EP disclosed
US-20200216871-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS INVITROGEN CORPORATION 2020-07-09 US disclosed
EP-2535423-B1 Labeling and detection of nucleic acids LIFE TECHNOLOGIES CORP (US) 2019-05-15 EP disclosed
US-10203334-B2 Methods and compositions related to nucleic acid binding assays Nubad, LLC (US) 2019-02-12 US disclosed
US-20170362624-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS Life Technologies Corporation 2017-12-21 US disclosed
US-20170362624-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS Life Technologies Corporation 2017-12-21 US disclosed
EP-2623986-B1 Labeling and detection of post translationally modified proteins LIFE TECHNOLOGIES CORP (US) 2017-06-14 EP disclosed
US-9645140-B2 Labeling and detection of post translationally modified proteins Life Technologies Corporation (US) 2017-05-09 US disclosed
US-9645140-B2 Labeling and detection of post translationally modified proteins Life Technologies Corporation (US) 2017-05-09 US disclosed
EP-2623609-B1 Labeling and detection of post translationally modified proteins LIFE TECHNOLOGIES CORP (US) 2017-01-04 EP disclosed
US-20100261181-A1 LABELING AND DETECTION OF NUCLEIC ACIDS Life Technologies Corporation (US) 2010-10-14 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20080050731-A1 LABELING AND DETECTION OF NUCLEIC ACIDS INVITROGEN CORPORATION (US) 2008-02-28 US disclosed
US-20080050731-A1 LABELING AND DETECTION OF NUCLEIC ACIDS INVITROGEN CORPORATION (US) 2008-02-28 US disclosed
US-20070249014-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS INVITROGEN CORPORATION (US) 2007-10-25 US disclosed
US-20070249014-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS INVITROGEN CORPORATION (US) 2007-10-25 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 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 (7 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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 RAB9A 1580/4885ALDH1A1 946/4885NPC1 1623/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 RAB9A 854/4885ALDH1A1 1457/4885NPC1 2270/4885
US-20200216871-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS PTMS, DNPEP, BTD RAB9A 3713/4885ALDH1A1 384/4885NPC1 4706/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 RAB9A 1580/4885ALDH1A1 946/4885NPC1 1623/4885
US-20070249014-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS PTMS, DNPEP, BTD RAB9A 3713/4885ALDH1A1 384/4885NPC1 4706/4885
US-20170362624-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS PTMS, DNPEP, BTD RAB9A 3713/4885ALDH1A1 384/4885NPC1 4706/4885
US-20100261181-A1 LABELING AND DETECTION OF NUCLEIC ACIDS RNGTT, ADAR, ALKBH1 RAB9A 4232/4885ALDH1A1 80/4885NPC1 3455/4885

“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.