SCHEMBL21996592

SCHEMBL21996592

CCOC(=O)Cc1c(Cl)nc(Cl)nc1NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 7/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1748473 0.82 MAPK1 (0.46) MAPK1KDM4ELMNAHTTHSD17B10
SCHEMBL16321938 0.79 CYP2C9 (0.38) MAPK1KDM4ELMNAHTTHSD17B10
SCHEMBL5844244 0.77 CRHR1 (0.40) HTR6MAPK1KDM4ELMNAHSD17B10
SCHEMBL17926536 0.76 MAPK1 (0.48) MAPK1KDM4ELMNAHSD17B10MAPT
SCHEMBL1748597 0.74 MAPK1 (0.35) MAPK1KDM4ELMNAHTTHSD17B10
Hydrochloric Acid SCHEMBL1748596 0.73 MAPK1 (0.34) MAPK1KDM4ELMNAHTTHSD17B10
SCHEMBL5844147 0.73 MAPK1 (0.46) MAPK1KDM4ELMNAHSD17B10MAPT
SCHEMBL12482022 0.73 MAPT (0.48) MAPK1KDM4ELMNAHTTMAPT
SCHEMBL21996632 0.72 GAA (0.40) SMN1; SMN2TDP1GAA
SCHEMBL1055154 0.71 MAPK1 (0.53) MAPK1KDM4ELMNAHSD17B10MAPT

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
US-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS CELULARITY INC. (US) 2022-08-11 US disclosed
EP-3887364-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity Inc. (US) 2021-10-06 EP disclosed
CN-113454076-A Aromatic compounds for activating hematopoietic stem and progenitor cells 细胞结构公司 2021-09-28 CN disclosed
WO-2020113178-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity, Inc. (US) 2020-06-04 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 (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-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS ALPP, MCL1, NFATC1 HTR6 528/4885MAPK1 2857/4885KDM4E 1093/4885

“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.