SCHEMBL2170152

SCHEMBL2170152

Nc1ccc(C(=O)c2ccc(N(CCCl)CCCl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
ERBB2 P04626 5/20 0.54
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HIF1A Q16665 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49
PMP22 Q01453 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
ACHE P22303 1/20 0.49
PTGS1 P23219 1/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL1269424 0.85 CYP3A4 (0.54) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL3838748 0.83 CYP3A4 (0.52) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL4908898 0.83 CYP3A4 (0.52) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL12266656 0.83 EGFR (0.58) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL28280620 0.80 EGFR (0.58) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11484155 0.79 HPGD (0.56) EGFRERBB2ALDH1A1MAPTLMNA
SCHEMBL766052 0.78 EGFR (0.61) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7462603 0.78 EGFR (0.60) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL14615156 0.78 EGFR (0.64) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11980711 0.77 EGFR (0.63) EGFRERBB2ALDH1A1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354547-B2 4β-amino podophyllotoxin congeners as anti tumour antibiotics a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-15 US claimed
US-20110213165-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-01 US claimed
EP-2346876-A1 NOVEL 4BETA-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2011-07-27 EP claimed
WO-2010052733-A1 NOVEL 4β-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-14 WO claimed
EP-2346876-B1 NOVEL 4BETA-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-01-30 EP disclosed
US-8354547-B2 4β-amino podophyllotoxin congeners as anti tumour antibiotics a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-15 US disclosed
US-20110213165-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-01 US disclosed
EP-2346876-A1 NOVEL 4BETA-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2011-07-27 EP disclosed
WO-2010052733-A1 NOVEL 4β-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-14 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-20110213165-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF EIF4B, TUBB4B, TUBB4A EGFR 489/4885ERBB2 373/4885ALDH1A1 1724/4885

“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.