SCHEMBL20339408

SCHEMBL20339408

CCCCCCOc1cccc(O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
NR5A1 Q13285 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MCHR1 Q99705 2/20 0.46
PTPN1 P18031 2/20 0.45
SMPD1 P17405 1/20 0.43

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
SCHEMBL9697377 1.00 LMNA (0.49) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL17534150 0.88 LMNA (0.47) LMNAMAPTCYP3A4KMT2AMCHR1
SCHEMBL19612311 0.88 CYP3A4 (0.51) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL20339403 0.88 CYP3A4 (0.51) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL5587069 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL10608059 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL10705985 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL5587927 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL5587993 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL5589402 0.84 LMNA (0.53) LMNAMAPTMEN1NR1I2CHRM2

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
CN-110582281-A Application of small molecule NF-kB inhibitor in treating malignant blood tumor 纪念斯隆-凯特林癌病中心 2019-12-17 CN disclosed
EP-3562488-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS Memorial Sloan-Kettering Cancer Center (US) 2019-11-06 EP disclosed
US-20190314377-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-10-17 US disclosed
WO-2018125867-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-07-05 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-20190314377-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS NFKBIA, IKBKB, NFKB2 LMNA 996/4885MAPT 3438/4885MEN1 845/4885

“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.