SCHEMBL5423975

SCHEMBL5423975

O=Cc1ccnc(C=O)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ERN1 O75460 2/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9207153 0.76 CCR1 (0.47) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL5212066 0.76 ALDH1A1 (0.48) CCR1CCR5CCR8ERN1KMT2A
SCHEMBL548552 0.71 KDM4E (0.43) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL28154686 0.71 ERN1 (0.41) ERN1LMNATDP1ALDH1A1KDM4E
SCHEMBL548553 0.71 KDM4E (0.43) ERN1KMT2ALMNAMEN1TDP1
SCHEMBL14147248 0.70 CCR1 (0.38) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL346904 0.70 TRIM24 (0.59) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL28474138 0.70 LMNA (0.34) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL28198595 0.70 LRRK2 (0.39) ERN1KMT2ALMNAMEN1ALDH1A1
SCHEMBL6852244 0.68 CCR1 (0.35) CCR1CCR5CCR8TRIM24TRIM33

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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US disclosed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US disclosed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 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 (1 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 CCR1 4620/4885CCR5 3835/4885CCR8 4668/4885

“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.