SCHEMBL12201083

SCHEMBL12201083

COC(=O)c1c(C)[nH]c2c(OC(=O)Oc3ccc([N+](=O)[O-])cc3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
ABCB1 P08183 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DRD3 P35462 1/20 0.33
LGALS8 O00214 1/20 0.32
LGALS3 P17931 1/20 0.32
CTNNB1 P35222 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL12201085 0.88 HRH4 (0.41) HRH4ABCB1MEN1KMT2AGAA
SCHEMBL13385715 0.86 HRH4 (0.34) HRH4ABCB1
SCHEMBL13401594 0.84 HTT (0.35) ABCB1MEN1KMT2AGAAMAPT
SCHEMBL13020891 0.80 MEN1 (0.31) MEN1KMT2AGAAMAPTHTT
SCHEMBL14012235 0.78 HRH4 (0.45) HRH4MEN1KMT2ADRD3POLB
SCHEMBL13897391 0.78 ALDH1A1 (0.32) ABCB1MEN1KMT2AGAAMAPT
SCHEMBL13933657 0.78 ABCC1 (0.34) ABCB1MEN1KMT2AGAAMAPT
SCHEMBL13401447 0.78 SYK (0.39) HRH4MEN1KMT2APDGFRBPDGFRA
SCHEMBL13020887 0.77 HRH4 (0.43) HRH4ABCB1MEN1KMT2AGAA
SCHEMBL12201081 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 US disclosed
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 US disclosed
US-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 US disclosed
US-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT HRH4 1037/4885ABCB1 433/4885MEN1 619/4885
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR VIP, PIN1, PDF HRH4 2126/4885ABCB1 757/4885MEN1 612/4885

“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.