SCHEMBL9397128

SCHEMBL9397128

NC1(C(=O)O)CCc2ccc(N(CCCl)CCCl)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.61
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HIF1A Q16665 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 2/20 0.39
NFKB1 P19838 2/20 0.39
THPO P40225 2/20 0.39
PMP22 Q01453 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS1 P23219 2/20 0.39
ABCB11 O95342 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL22852450 0.89 RAD52 (0.47) RAD52ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL22852453 0.76 RAD52 (1.00) RAD52ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL11100764 0.75 KDM4E (0.42) ALDH1A1MAPTCYP3A4LMNAKDM4E
SCHEMBL9397242 0.74 RAD52 (0.43) RAD52ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL16605573 0.73 KDM4E (0.40) ALDH1A1MAPTKDM4EALOX15TDP1
SCHEMBL24803566 0.70 KDM4E (0.38) RAD52ALDH1A1MAPTKDM4EALOX15
SCHEMBL30758546 0.70 KDM4E (0.38) RAD52ALDH1A1MAPTKDM4EALOX15
SCHEMBL26405589 0.70 ALOX15 (0.47) ALDH1A1MAPTSMN1; SMN2ALOX15TSHR
SCHEMBL22852447 0.70 RAD52 (0.36) RAD52ALDH1A1MAPTKDM4EALOX15
SCHEMBL268919 0.70 PARP1 (0.39) ALDH1A1MAPTKDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284774-A Antineoplastic, system-L specific amino acid nitrogen mustards THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECY. OF THE DEPT. OF HEALTH & HUMAN RESOURCES (US) 1994-02-08 US claimed
US-4772632-A REDUCED MYELOSUPPRESSION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1988-09-20 US claimed
US-20240216529-A1 EXTRACELLULAR VESICLES WITH TARGETING MOIETY BIORCHESTRA CO., LTD. (KR) 2024-07-04 US disclosed
US-20240216529-A1 EXTRACELLULAR VESICLES WITH TARGETING MOIETY BIORCHESTRA CO., LTD. (KR) 2024-07-04 US disclosed
WO-2024009268-A1 MICELLAR NANOPARTICLES AND USES THEREOF BIORCHESTRA CO., LTD. (KR) 2024-01-11 WO disclosed
US-11839624-B2 Micellar nanoparticles and uses thereof BIORCHESTRA CO., LTD. (KR) 2023-12-12 US disclosed
US-11839624-B2 Micellar nanoparticles and uses thereof BIORCHESTRA CO., LTD. (KR) 2023-12-12 US disclosed
WO-2022144811-A1 MICELLAR NANOPARTICLES AND USES THEREOF BIORCHESTRA CO., LTD. (KR) 2022-07-07 WO disclosed
WO-2020261227-A1 MICELLAR NANOPARTICLES AND USES THEREOF BIORCHESTRA CO., LTD. (KR) 2020-12-30 WO disclosed
US-5284774-A Antineoplastic, system-L specific amino acid nitrogen mustards THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECY. OF THE DEPT. OF HEALTH & HUMAN RESOURCES (US) 1994-02-08 US disclosed
US-4772632-A REDUCED MYELOSUPPRESSION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1988-09-20 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-20240216529-A1 EXTRACELLULAR VESICLES WITH TARGETING MOIETY EXOSC5, EXOSC4, EXOSC10 RAD52 3957/4885ALDH1A1 3325/4885MAPT 2808/4885
US-11839624-B2 Micellar nanoparticles and uses thereof TLR9, HNRNPLL, POLRMT RAD52 3764/4885ALDH1A1 4554/4885MAPT 1897/4885

“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.