SCHEMBL5733671

SCHEMBL5733671

O=C(O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.62
NPC1 O15118 14/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
TP53 P04637 5/20 0.62
PKM P14618 3/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
HPGD P15428 1/20 0.60
FLT3 P36888 1/20 0.58
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
NLRP3 Q96P20 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PDGFRB P09619 1/20 0.55

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
SCHEMBL27520204 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5679468 0.86 FLT3 (0.51) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL14499185 0.85 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5896838 0.84 FLT3 (0.49) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8210586 0.84 SMAD3 (0.51) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL7470087 0.83 PDGFRB (0.60) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7469267 0.83 PDGFRB (0.57) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL8695258 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8693183 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5675864 0.82 MMP2 (0.51) RAB9ANPC1SMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO disclosed
EP-0680964-B1 PYRROLO [3,2-e]INDOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE UNIV SANTIAGO COMPOSTELA (ES) 2002-01-16 EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed
EP-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
US-5786377-A ANTITUMOR AGENTS; ANTICANCER AGENTS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1998-07-28 US disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0680964-A1 NEW PIRROLO 3,2-e]INDOL DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND APPLICATIONS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1995-11-08 EP disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP 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 (1 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 RAB9A 3639/4885NPC1 2541/4885SMN1; SMN2 4149/4885

“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.