SCHEMBL19628902

SCHEMBL19628902

CCCN(C(=O)c1c(O)c2c(CC)cccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
PGR P06401 1/20 0.48
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MAP3K5 Q99683 1/20 0.38
POLB P06746 2/20 0.38
PABPC1 P11940 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPEPPS P55786 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 2/20 0.36

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
SCHEMBL7722437 0.93 MEN1 (0.46) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL29362498 0.91 MEN1 (0.50) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL1573633 0.91 MEN1 (0.50) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL1573462 0.90 MEN1 (0.49) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL1573731 0.90 MEN1 (0.49) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL1573653 0.90 MEN1 (0.49) MEN1KMT2APGRHDAC4ALDH1A1
Paquinimod SCHEMBL1573460 0.90 MEN1 (0.49) MEN1KMT2APGRHDAC4ALDH1A1
SCHEMBL7600507 0.88 MEN1 (0.47) MEN1KMT2APGRHDAC4ALDH1A1
SCHEMBL7600409 0.86 HDAC4 (0.57) MEN1KMT2APGRHDAC4ALDH1A1
SCHEMBL7612167 0.86 MEN1 (0.46) MEN1KMT2APGRHDAC4ALDH1A1

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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 US disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 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 (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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis S100A9, S100A4, S100A10 MEN1 3766/4885KMT2A 3628/4885PGR 4606/4885
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS S100A9, S100A4, S100A10 MEN1 3766/4885KMT2A 3628/4885PGR 4606/4885

“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.