SCHEMBL21996599

SCHEMBL21996599

Clc1nc(NCCc2c[nH]c3ccccc23)c2occc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
SLC2A1 P11166 1/20 0.54
RAD52 P43351 1/20 0.54
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
GBA1 P04062 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
HTR6 P50406 4/20 0.47
DRD2 P14416 3/20 0.47
HTR7 P34969 3/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL20267087 0.85 KMT2A (0.67) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL30579381 0.79 KMT2A (0.56) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL21754368 0.79 KMT2A (0.56) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL20267001 0.78 PAK4 (0.54) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL29244533 0.78 KMT2A (0.54) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL21996558 0.78 GBA1 (0.58) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL30162953 0.78 GBA1 (0.58) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL21996597 0.78 GBA1 (0.58) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL30162649 0.78 GBA1 (0.58) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL28046116 0.77 HTR2A (0.64) KMT2APOLBSLC2A1RAD52HTT

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 5 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
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 KMT2A 449/4885POLB 2792/4885SLC2A1 3414/4885

“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.