SCHEMBL5790301

SCHEMBL5790301

CC(C)(C)ON(C=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(CCCl)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAOB P27338 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP24A1 Q07973 1/20 0.38
MMP2 P08253 1/20 0.36
F12 P00748 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPT P10636 3/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5789516 0.94 NPC1 (0.45) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL5789761 0.92 NPC1 (0.45) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL5792560 0.91 NPC1 (0.42) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL5790527 0.91 NPC1 (0.42) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL6263397 0.88 RAB9A (0.44) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL7256067 0.88 RAB9A (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL6243892 0.82 NPC1 (0.48) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL5792278 0.80 RAB9A (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5794764 0.78 NPC1 (0.44) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL6245467 0.76 NPC1 (0.48) NPC1RAB9AMAOBMEN1KMT2A

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 6 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
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

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 NPC1 2541/4885RAB9A 3639/4885MAOB 3936/4885

“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.