SCHEMBL19476391

SCHEMBL19476391

O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(F)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
ALB P02768 5/20 0.48
IL2 P60568 5/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL19476080 0.86 CYP1A2 (0.52) L3MBTL1TDP1MAPTLMNANPSR1
SCHEMBL19476093 0.86 KMT2A (0.59) MAPTHDAC3HDAC1LMNASMN1; SMN2
SCHEMBL19476167 0.82 NPC1 (0.60) L3MBTL1TDP1LMNASMN1; SMN2ATM
SCHEMBL19476077 0.81 KDM4E (0.54) L3MBTL1TDP1MAPTHDAC3HDAC1
SCHEMBL914735 0.76 SRD5A2 (0.64) MAPTLMNAIDO1TDO2MAPK1
SCHEMBL19476141 0.75 TP53 (0.65) L3MBTL1TDP1MAPTHDAC3HDAC1
SCHEMBL19476395 0.75 RAB9A (0.56) L3MBTL1TDP1MAPTATMRAB9A
SCHEMBL19476090 0.74 KDM4E (0.71) L3MBTL1MAPTNPSR1TSHRRAB9A
SCHEMBL19476394 0.74 MEN1 (0.58) MAPTHDAC3HDAC1NPSR1RAB9A
SCHEMBL12190092 0.73 L3MBTL1 (0.71) L3MBTL1TDP1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 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 (2 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 L3MBTL1 4182/4885TDP1 4832/4885MAPT 4463/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 L3MBTL1 4182/4885TDP1 4832/4885MAPT 4463/4885

“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.