SCHEMBL14359372

SCHEMBL14359372

[N-]=[N+]=Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMAD3 P84022 1/20 0.55
PRMT1 Q99873 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
ALDH1A1 P00352 3/20 0.53
ALOX12 P18054 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 1/20 0.53
BRCA1 P38398 1/20 0.53
LMNA P02545 3/20 0.38

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
SCHEMBL14126258 0.84 HPGD (0.48) FTOMAPTMEN1KMT2AHPGD
SCHEMBL136169 0.82 FTO (0.56) FTOMAPTMEN1KMT2AHPGD
SCHEMBL16544 0.81 FTO (0.55) FTOMAPTMEN1KMT2AHPGD
SCHEMBL29472215 0.81 FTO (0.55) FTOMAPTMEN1KMT2AHPGD
SCHEMBL10486825 0.81 FTO (0.54) FTOMAPTMEN1KMT2AHPGD
SCHEMBL4321320 0.81 FTO (0.54) FTOMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL5440613 0.81 FTO (0.54) FTOMAPTMEN1KMT2AHPGD
SCHEMBL9013831 0.81 FTO (0.54) FTOMAPTMEN1KMT2AHPGD
SCHEMBL6662140 0.80 FTO (0.74) FTOMAPTMEN1KMT2AHPGD
SCHEMBL3189664 0.80 FTO (0.66) FTOMAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10119972-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2018-11-06 US disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
EP-3129767-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF Academia Sinica (TW) 2017-02-15 EP disclosed
CN-106415244-A Reactive marker compounds and uses thereof 中央研究院 2017-02-15 CN disclosed
WO-2015148915-A9 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2016-12-22 WO disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 US disclosed
WO-2015148915-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-01 WO disclosed
WO-2013144656-A1 ACTIVE SITE PROBES ISIS INNOVATION LIMITED (GB) 2013-10-03 WO disclosed
WO-2013001451-A1 VECTOR FOR THE RELEASE OF AN ACTIVE AGENT WHICH IS PHOTOCLEAVABLE BY IRRADIATION IN THE VISIBLE FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2013-01-03 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 (3 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-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS FTO 2514/4885MAPT 4444/4885MEN1 2425/4885
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS FTO 2389/4885MAPT 4417/4885MEN1 2466/4885
US-10119972-B2 Reactive labelling compounds and uses thereof MPI, AADAC, PAICS FTO 2389/4885MAPT 4417/4885MEN1 2466/4885

“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.