SCHEMBL905253

SCHEMBL905253

Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
ERBB2 P04626 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
NFKB1 P19838 3/20 0.49
THPO P40225 3/20 0.49
PMP22 Q01453 3/20 0.49
GMNN O75496 2/20 0.49
CYP2D6 P10635 1/20 0.49
GABRA1 P14867 1/20 0.49
TSHR P16473 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
CYP3A4 P08684 4/20 0.47
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 2/20 0.47

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
Hydrochloric Acid SCHEMBL5387586 0.98 EGFR (0.47) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL30666111 0.98 EGFR (0.47) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL3675298 0.78 CA2 (0.42) ALDH1A1HIF1ALMNASMN1; SMN2MAPT
SCHEMBL8599765 0.78 KMT2A (0.48) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL30271295 0.77 ALDH1A1 (0.54) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL6323846 0.77 APP (0.41) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL1269424 0.76 CYP3A4 (0.54) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL5987618 0.76 EGFR (0.44) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL1837511 0.76 ESRRG (0.55) EGFRERBB2ALDH1A1HIF1ALMNA
SCHEMBL14714244 0.76 HDAC6 (0.45) EGFRERBB2ALDH1A1HIF1ALMNA

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 257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313156-B1 DISULFIDE-BASED PRODRUG COMPOUNDS UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2025-08-06 EP claimed
US-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-06-27 US claimed
US-20240156965-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-05-16 US claimed
EP-4320124-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2024-02-14 EP claimed
EP-4313156-A1 DISULFIDE-BASED PRODRUG COMPOUNDS Ludwig-Maximilians-Universität München (DE) 2024-02-07 EP claimed
CN-109574960-B Docetaxel derivative and preparation method and application thereof 南京友怡医药科技有限公司 2023-03-21 CN claimed
WO-2022214598-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2022-10-13 WO claimed
EP-4071148-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2022-10-12 EP claimed
WO-2022200347-A1 DISULFIDE-BASED PRODRUG COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2022-09-29 WO claimed
EP-4062942-A1 DISULFIDE-BASED PRODRUG COMPOUNDS Ludwig-Maximilians-Universität München (DE) 2022-09-28 EP claimed
US-7705045-B2 compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups SYNTARGA, B.V. (NL) 2010-04-27 US claimed
US-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers SYNTARGA B.V. (NL) 2006-06-01 US claimed
EP-1560599-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS Syntarga B.V. (NL) 2005-08-10 EP claimed
WO-2004043493-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS SYNTARGA B.V. (NL) 2004-05-27 WO claimed
US-5955100-A TREATMENT OF MALIGNANT TUMORS, INFLAMMATORY DISEASES, OR AUTOIMMUNE DISEASES BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1999-09-21 US claimed
EP-0879605-A2 GLYCOSYL PRODRUG CONJUGATE WITH ENHANCED TOLERANCE HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-25 EP claimed
US-5621002-A HAVING A MODIFIED COMPETITIVE ENZYME ACTIVITY INHBITOR LINKED TO A SPACER-DRUG; ENZYME CLEAVAGE AT A LOWER CONCENTRATION, I.E. LOW MICHAELIS-MENTEN CONSTANT(KM) BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-04-15 US claimed
EP-0647450-A1 Improved prodrugs for enzyme mediated activation BEHRINGWERKE Aktiengesellschaft (DE) 1995-04-12 EP claimed
EP-0642799-A1 Improved prodrugs for enzyme mediated activation BEHRINGWERKE Aktiengesellschaft (DE) 1995-03-15 EP claimed
EP-0595133-A2 Prodrugs, their preparation and use as medicaments BEHRINGWERKE Aktiengesellschaft (DE) 1994-05-04 EP claimed

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-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers DNPEP, GUSB, APEH EGFR 1387/4885ERBB2 2584/4885ALDH1A1 1189/4885
US-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND CBS, MSR1, P4HB EGFR 3386/4885ERBB2 3004/4885ALDH1A1 245/4885
US-20240156965-A1 DICHALCOGENIDE PRODRUGS DHCR7, DECR1, CYP27A1 EGFR 3676/4885ERBB2 3162/4885ALDH1A1 263/4885

“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.