SCHEMBL10324375

SCHEMBL10324375

CCCN(CCCl)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.86
ALDH1A1 P00352 3/20 0.86
HIF1A Q16665 3/20 0.86
LMNA P02545 3/20 0.86
MAPT P10636 2/20 0.86
NFKB1 P19838 2/20 0.86
THPO P40225 2/20 0.86
PMP22 Q01453 2/20 0.86
GMNN O75496 1/20 0.86
CYP2D6 P10635 1/20 0.86
GABRA1 P14867 1/20 0.86
TSHR P16473 1/20 0.86
GABRA2 P47869 1/20 0.86
GABRB2 P47870 1/20 0.86
SLCO1B3 Q9NPD5 1/20 0.86
HDAC6 Q9UBN7 3/20 0.63
EGFR P00533 2/20 0.56
ERBB2 P04626 2/20 0.56
HDAC3 O15379 3/20 0.52
HDAC2 Q92769 3/20 0.52

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
Chlorambucil SCHEMBL28344179 0.94 SMN1; SMN2 (0.86) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL17803700 0.93 SMN1; SMN2 (0.89) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL28272037 0.93 SMN1; SMN2 (0.94) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL4308 0.93 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL5318105 0.93 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL28694332 0.92 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL28942852 0.92 SMN1; SMN2 (0.91) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL28743193 0.92 SMN1; SMN2 (0.91) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL23753952 0.91 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Chlorambucil SCHEMBL5846926 0.91 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT

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-20160106837-A1 COMBINATION OF CD37 ANTIBODIES WITH CHLORAMBUCIL BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 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 (3 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 SMN1; SMN2 4415/4885ALDH1A1 3461/4885HIF1A 114/4885
US-20160106837-A1 COMBINATION OF CD37 ANTIBODIES WITH CHLORAMBUCIL CD22, SIGLEC7, CD2 SMN1; SMN2 4564/4885ALDH1A1 941/4885HIF1A 1051/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 SMN1; SMN2 2063/4885ALDH1A1 2432/4885HIF1A 220/4885

“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.