SCHEMBL2823271

SCHEMBL2823271

NNC(=O)C1C(=O)N(CCc2ccccc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
KDM4E B2RXH2 1/20 0.59
PARK7 Q99497 3/20 0.46
CCKBR P32239 1/20 0.45
EGFR P00533 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
XIAP P98170 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3016301 0.80 CDC25A (0.60) ALDH1A1EGFRMEN1KMT2AHSD17B10
SCHEMBL3026352 0.78 CCKBR (0.45) ALDH1A1CCKBREGFRMEN1KMT2A
SCHEMBL7099245 0.78 EGFR (0.40) ALDH1A1KDM4EEGFRMEN1KMT2A
SCHEMBL29385380 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EPARK7CCKBRALDH2
SCHEMBL14154017 0.71 HDAC4 (0.73) EGFRMEN1KMT2ALMNAGAA
SCHEMBL5669763 0.70 HDAC4 (0.43) ALDH1A1EGFRMEN1KMT2ALMNA
SCHEMBL7331291 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EPARK7CCKBRALDH2
SCHEMBL2873764 0.67 HDAC4 (0.60) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7416503 0.67 ALDH1A1 (0.47) ALDH1A1KDM4EPARK7ALDH2ALDH3A1
SCHEMBL2870534 0.66 CACNA1G (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893289-B1 HAIR AND/OR SCALP CARE COMPOSITIONS INCORPORATING AMINO-OXO-INDOLE-YLIDENE COMPOUNDS UNILEVER PLC (GB) 2010-07-07 EP claimed
US-7807707-B2 Hair and/or scalp care compositions incorporating amino-oxo-indole-ylidene compounds CONOPCO INC. (US) 2010-10-05 US disclosed
EP-1893289-B1 HAIR AND/OR SCALP CARE COMPOSITIONS INCORPORATING AMINO-OXO-INDOLE-YLIDENE COMPOUNDS UNILEVER PLC (GB) 2010-07-07 EP disclosed
US-20080206180-A1 Hair and/or scalp Care Compositions Incorporating Amino-Oxo-Indole-Ylidene Compounds CONOPCO, INC. D/B/A UNILEVER 2008-08-28 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-20080206180-A1 Hair and/or scalp Care Compositions Incorporating Amino-Oxo-Indole-Ylidene Compounds IDO1, IDO2, AADAT ALDH1A1 1492/4885KDM4E 479/4885PARK7 3537/4885

“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.