SCHEMBL2117010

SCHEMBL2117010

CCC(C(=O)NN)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
ERBB2 P04626 4/20 0.49
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.45
CYP3A4 P08684 3/20 0.45
HIF1A Q16665 3/20 0.45
ALOX15 P16050 2/20 0.45
NFKB1 P19838 2/20 0.45
THPO P40225 2/20 0.45
MAPT P10636 2/20 0.45
PMP22 Q01453 2/20 0.45
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL30537036 0.84 EGFR (0.49) EGFRERBB2ALDH1A1SMN1; SMN2LMNA
SCHEMBL2967462 0.82 ALDH1A1 (0.52) EGFRERBB2ALDH1A1SMN1; SMN2LMNA
SCHEMBL29362308 0.82 ALDH1A1 (0.52) EGFRERBB2ALDH1A1SMN1; SMN2LMNA
SCHEMBL7473362 0.82 EGFR (0.50) EGFRERBB2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4519669 0.77 FFAR2 (0.55) ALDH1A1LMNAMAPTTDP1KDM4E
SCHEMBL25323509 0.74 KCNQ2 (0.50) ALDH1A1SMN1; SMN2LMNATDP1CRHBP
SCHEMBL6937634 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL29724087 0.73 EGFR (0.53) EGFRERBB2ALDH1A1SMN1; SMN2LMNA
SCHEMBL29763592 0.73 POLB (0.47) EGFRERBB2ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1533307 0.71 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4MAPTTDP1

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-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 US disclosed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 US disclosed
US-6709679-B2 CONSISTING OF NATIVE OR THIOLATED TRANSFERRIN OR ALBUMIN OR OF POLYETHYLENE GLYCOL WITH ATLEAST ONE MERCAPTAN, HYDROXY OR AMINE GROUP AND CYTOSTATIC COMPOUNDS DERIVED THROUGH MALEINIMIDE OR HYDROXYSUCCINIMIDE ESTER COMPOUNDS KRATZ FELIX (DE) 2004-03-23 US disclosed
US-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol KRATZ FELIX (DE) 2002-02-14 US disclosed
US-6310039-B1 TUMOR-INHIBITING CONJUGATES OF PROTEINS AND POLYMERS CONSISTING OF A SUITABLE CARRIER SYSTEM AND CYTOSTATIC COMPOUNDS KRATZ FELIX (DE) 2001-10-30 US 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 (2 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-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol TFRC, ALB, FOLR1 EGFR 78/4885ERBB2 309/4885ALDH1A1 2933/4885
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF CD22, UGGT1, UGCG EGFR 1475/4885ERBB2 1132/4885ALDH1A1 296/4885

“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.