SCHEMBL18883276

SCHEMBL18883276

CC(=O)c1cn2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
STAT3 P40763 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
APP P05067 1/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 4/20 0.48
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2485814 0.86 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL21001635 0.84 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3776760 0.82 KDM4E (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25721477 0.81 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2086826 0.80 POLB (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL23653213 0.78 RAB9A (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2488317 0.77 NPC1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL16376280 0.77 RAB9A (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL15223780 0.76 HRH4 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL8176307 0.74 APP (0.48) POLBAPPHRH4HRH3DYRK1A

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-20230272084-A1 B7-H3 DIRECTED ANTIBODY DRUG CONJUGATES MACROGENICS, INC. 2023-08-31 US disclosed
US-20230226206-A1 METHODS FOR THE USE OF A B7-H3 ANTIBODY-DRUG CONJUGATE ALONE OR IN COMBINATION MACROGENICS, INC. 2023-07-20 US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 US disclosed
US-9890159-B2 Process for making duocarmycin prodrugs SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-02-13 US disclosed
US-20170145006-A1 PROCESS FOR MAKING DUOCARMYCIN PRODRUGS SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2017-05-25 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 (4 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 ALDH1A1 4468/4885RAB9A 1278/4885SMN1; SMN2 3034/4885
US-20230272084-A1 B7-H3 DIRECTED ANTIBODY DRUG CONJUGATES CD274, CD2, CD22 ALDH1A1 1535/4885RAB9A 2561/4885SMN1; SMN2 2505/4885
US-20170145006-A1 PROCESS FOR MAKING DUOCARMYCIN PRODRUGS UMPS, UNG, DNASE1 ALDH1A1 3757/4885RAB9A 2044/4885SMN1; SMN2 4096/4885
US-20230226206-A1 METHODS FOR THE USE OF A B7-H3 ANTIBODY-DRUG CONJUGATE ALONE OR IN COMBINATION CD274, PDCD1, H1-3 ALDH1A1 382/4885RAB9A 1819/4885SMN1; SMN2 3300/4885

“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.