SCHEMBL6744975

SCHEMBL6744975

[CH2]c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
PMP22 Q01453 2/20 0.44
GMNN O75496 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL8599765 0.78 KMT2A (0.48) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL14714244 0.76 HDAC6 (0.45) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL28878101 0.76 ALDH1A1 (0.52) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL9744239 0.76 EGFR (0.44) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL905253 0.76 EGFR (0.49) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL1269424 0.76 CYP3A4 (0.54) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL9889321 0.76 CNR2 (0.53) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL220420 0.76 EGFR (0.41) EGFRERBB2ALDH1A1SMN1; SMN2MAPT
SCHEMBL5987618 0.76 EGFR (0.44) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL121635 0.75 EGFR (0.58) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A

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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
WO-1999052861-A1 NOVEL BENZYL GUANIDINE DERIVATIVES FOR THERAPY AND IN-VIVO AND IN-VITRO DIAGNOSIS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1999-10-21 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 (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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 EGFR 790/4885ERBB2 694/4885ALDH1A1 1409/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS EGFR 703/4885ERBB2 941/4885ALDH1A1 4049/4885

“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.