SCHEMBL21996593

SCHEMBL21996593

CC(C)n1cc(C(=O)O)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
PPARA Q07869 4/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
TEK Q02763 2/20 0.32
PDPK1 O15530 1/20 0.32
HCAR3 P49019 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CDK1 P06493 1/20 0.32
NTRK1 P04629 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21996598 0.87 PIM1 (0.35) CDK5CDK5R1NPC1POLBLCK
SCHEMBL21996606 0.75 CCNA2 (0.33) CDK5CDK5R1CDK1CCNA2CDK2
SCHEMBL21996594 0.72 KDM4E (0.36) POLBKDM4EKDRTEKALDH1A1
SCHEMBL22774208 0.68 KEAP1 (0.46) POLBKDM4EKEAP1NFE2L2KMT2A
SCHEMBL27949611 0.68 NTRK1 (0.44) NTRK1
SCHEMBL19732639 0.68 RET (0.58) LCKKDRTEKPDPK1NTRK1
SCHEMBL2314716 0.65 CDK1 (0.38) CDK5CDK5R1NPC1POLBCDK1
SCHEMBL30095873 0.65 CDK1 (0.38) CDK5CDK5R1NPC1POLBCDK1
SCHEMBL13798686 0.64 KMT2A (0.37) PPARGKDM4EKEAP1NFE2L2KMT2A
SCHEMBL15742448 0.64 MEN1 (0.39) NPC1POLBKDM4EHCAR3NTRK1

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 CDK5 1506/4885CDK5R1 1209/4885NPC1 3759/4885

“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.