SCHEMBL19978239

SCHEMBL19978239

CC1=Nc2c(ccc3ncccc23)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 2/20 0.46
HTT P42858 2/20 0.46
BLM P54132 2/20 0.46
HSP90AB1 P08238 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ERN1 O75460 1/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19978240 0.74 KDM4E (0.55) MAPTKDM4ELMNAMEN1KMT2A
Iodide SCHEMBL29763642 0.73 MEN1 (0.54) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL28795459 0.69 KMT2A (0.49) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL1655723 0.68 KMT2A (0.34) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL217044 0.67 MAPT (1.00) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL29638873 0.66 MEN1 (0.37) MEN1KMT2AHTTCYP3A4CYP1A2
SCHEMBL17689028 0.66 KDM4E (0.35) MAPTKDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL28420480 0.65 MAPT (0.94) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL129944 0.65 MAPT (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL3341425 0.65 MAPT (0.71) MAPTKDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040326-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-02-11 US disclosed
US-10633542-B2 Azacyanine dyes and use thereof Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2020-04-28 US disclosed
US-20190292371-A1 AZACYANINE DYES AND USE THEREOF INTRACE MEDICAL SA (CH) 2019-09-26 US disclosed
WO-2019180475-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-09-26 WO disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 US disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 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 (4 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-20210040326-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM MAPT 3491/4885KDM4E 783/4885LMNA 3815/4885
US-20190292371-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM MAPT 3491/4885KDM4E 783/4885LMNA 3815/4885
US-10633542-B2 Azacyanine dyes and use thereof INMT, AZI2, MYADM MAPT 3491/4885KDM4E 783/4885LMNA 3815/4885
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM MAPT 3491/4885KDM4E 783/4885LMNA 3815/4885

“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.